diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index 0a7e8bde8..c26102839 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -28,7 +28,7 @@ jobs: strategy: fail-fast: false matrix: - model: [pcsaft, epcsaft, gc_pcsaft, pets, uvtheory, saftvrqmie, saftvrmie] + model: [pcsaft, epcsaft, gc_pcsaft, pets, uvtheory, saftvrqmie, saftvrmie, multiparameter] steps: - uses: actions/checkout@v4 diff --git a/crates/feos-core/src/equation_of_state/mod.rs b/crates/feos-core/src/equation_of_state/mod.rs index d0457b9a5..a8bff45a7 100644 --- a/crates/feos-core/src/equation_of_state/mod.rs +++ b/crates/feos-core/src/equation_of_state/mod.rs @@ -48,7 +48,7 @@ impl EquationOfState, NoResidual> { } } -impl ResidualDyn for EquationOfState, R> { +impl ResidualDyn for EquationOfState, R> { fn components(&self) -> usize { self.residual.components() } diff --git a/crates/feos-core/src/state/mod.rs b/crates/feos-core/src/state/mod.rs index 9c5694cbb..4f896d72e 100644 --- a/crates/feos-core/src/state/mod.rs +++ b/crates/feos-core/src/state/mod.rs @@ -188,7 +188,7 @@ where } } -impl + Copy> fmt::Display for State +impl, N: Dim, D: DualNum + Copy> fmt::Display for State where DefaultAllocator: Allocator, { diff --git a/crates/feos/Cargo.toml b/crates/feos/Cargo.toml index 4d63491d9..39657866a 100644 --- a/crates/feos/Cargo.toml +++ b/crates/feos/Cargo.toml @@ -19,6 +19,7 @@ petgraph = { workspace = true, optional = true } thiserror = { workspace = true } num-traits = { workspace = true } serde = { workspace = true } +serde_json = { workspace = true } indexmap = { workspace = true } rayon = { workspace = true, optional = true } itertools = { workspace = true } @@ -32,7 +33,6 @@ feos-dft = { workspace = true, optional = true } approx = { workspace = true } quantity = { workspace = true, features = ["approx"] } criterion = { workspace = true } -serde_json = { workspace = true } [features] default = [] @@ -45,6 +45,7 @@ uvtheory = [] pets = [] saftvrqmie = [] saftvrmie = ["association"] +multiparameter = [] rayon = ["dep:rayon", "ndarray/rayon", "feos-core/rayon", "feos-dft?/rayon"] all_models = [ "dft", @@ -55,6 +56,7 @@ all_models = [ "pets", "saftvrqmie", "saftvrmie", + "multiparameter" ] [[bench]] diff --git a/crates/feos/src/lib.rs b/crates/feos/src/lib.rs index 26bc87dcd..eab5ae128 100644 --- a/crates/feos/src/lib.rs +++ b/crates/feos/src/lib.rs @@ -46,6 +46,8 @@ pub mod hard_sphere; pub mod epcsaft; #[cfg(feature = "gc_pcsaft")] pub mod gc_pcsaft; +#[cfg(feature = "multiparameter")] +pub mod multiparameter; #[cfg(feature = "pcsaft")] pub mod pcsaft; #[cfg(feature = "pets")] diff --git a/crates/feos/src/multiparameter/ideal_gas_function.rs b/crates/feos/src/multiparameter/ideal_gas_function.rs new file mode 100644 index 000000000..fbd7571bb --- /dev/null +++ b/crates/feos/src/multiparameter/ideal_gas_function.rs @@ -0,0 +1,140 @@ +use num_dual::DualNum; +use serde::Deserialize; +use serde_json::Value; +use std::collections::HashMap; + +#[derive(Clone, Deserialize)] +pub struct IdealGasFunctionJson { + #[serde(rename = "type")] + pub ty: String, + #[serde(flatten)] + parameters: HashMap, +} + +pub struct IdealGasFunctionIterator { + inner: IdealGasFunctionJson, + count: usize, + index: usize, +} + +impl Iterator for IdealGasFunctionIterator { + type Item = IdealGasFunction; + + fn next(&mut self) -> Option { + if self.index == self.count { + return None; + } + let mut parameters: HashMap<_, _> = self + .inner + .parameters + .iter() + .map(|(k, v)| { + ( + k.clone(), + if self.inner.ty == "IdealGasHelmholtzCP0AlyLee" { + // AlyLee parameters are stored as list instead of named parameters + v.clone() + } else { + v.as_array().map_or(v, |v| &v[self.index]).clone() + }, + ) + }) + .collect(); + if self.inner.ty == "IdealGasHelmholtzCP0AlyLee" { + self.index += 5 + } else { + self.index += 1; + } + parameters.insert("type".into(), serde_json::to_value(&self.inner.ty).unwrap()); + Some(serde_json::from_value(serde_json::to_value(parameters).unwrap()).unwrap()) + } +} + +impl IntoIterator for IdealGasFunctionJson { + type Item = IdealGasFunction; + type IntoIter = IdealGasFunctionIterator; + + fn into_iter(self) -> Self::IntoIter { + let count = self + .parameters + .values() + .map(|e| e.as_array().map_or(1, Vec::len)) + .max() + .unwrap(); + IdealGasFunctionIterator { + count, + inner: self, + index: 0, + } + } +} + +#[derive(Clone, Copy, Deserialize)] +#[serde(tag = "type")] +#[expect(non_snake_case)] +pub enum IdealGasFunction { + IdealGasHelmholtzLead { a1: f64, a2: f64 }, + IdealGasHelmholtzLogTau { a: f64 }, + IdealGasHelmholtzPower { n: f64, t: f64 }, + IdealGasHelmholtzPlanckEinstein { n: f64, t: f64 }, + IdealGasHelmholtzPlanckEinsteinFunctionT { Tcrit: f64, n: f64, v: f64 }, + IdealGasHelmholtzPlanckEinsteinGeneralized { c: f64, d: f64, n: f64, t: f64 }, + IdealGasHelmholtzCP0AlyLee { T0: f64, Tc: f64, c: [f64; 5] }, + IdealGasHelmholtzCP0Constant { T0: f64, Tc: f64, cp_over_R: f64 }, + IdealGasHelmholtzCP0PolyT { T0: f64, Tc: f64, c: f64, t: f64 }, + IdealGasHelmholtzEnthalpyEntropyOffset { a1: f64, a2: f64 }, +} + +impl IdealGasFunction { + pub fn evaluate + Copy>(&self, delta: D, tau: D) -> D { + match *self { + IdealGasFunction::IdealGasHelmholtzLead { a1, a2 } => delta.ln() + a1 + tau * a2, + IdealGasFunction::IdealGasHelmholtzLogTau { a } => tau.ln() * a, + IdealGasFunction::IdealGasHelmholtzPower { n, t } => tau.powf(t) * n, + IdealGasFunction::IdealGasHelmholtzPlanckEinstein { n, t } => { + (-(-tau * t).exp()).ln_1p() * n + } + IdealGasFunction::IdealGasHelmholtzPlanckEinsteinFunctionT { Tcrit, n, v } => { + (-(-tau * v / Tcrit).exp()).ln_1p() * n + } + IdealGasFunction::IdealGasHelmholtzPlanckEinsteinGeneralized { c, d, n, t } => { + ((tau * t).exp() * d + c).ln() * n + } + IdealGasFunction::IdealGasHelmholtzCP0AlyLee { T0, Tc, c } => { + let [a, b, c, d, e] = c; + let mut res = D::zero(); + if a > 0.0 { + let tau0 = Tc / T0; + res += (-tau / tau0 + 1.0 + (tau / tau0).ln()) * a; + } + if b > 0.0 { + res += (-(-tau * 2.0 * c / Tc).exp()).ln_1p() * b; + } + if d > 0.0 { + res -= ((-tau * 2.0 * e / Tc).exp()).ln_1p() * d; + } + res + } + IdealGasFunction::IdealGasHelmholtzCP0Constant { T0, Tc, cp_over_R } => { + let tau0 = Tc / T0; + (-tau / tau0 + 1.0 + (tau / tau0).ln()) * cp_over_R + } + IdealGasFunction::IdealGasHelmholtzCP0PolyT { T0, Tc, c, t } => { + // unfortunately some models use floats and other models use 0 or -1 which needs to be treated separately... + if t.abs() < 10.0 * f64::EPSILON { + let tau0 = Tc / T0; + (-tau / tau0 + 1.0 + (tau / tau0).ln()) * c + } else if (t + 1.0).abs() < 10.0 * f64::EPSILON { + let tau0 = Tc / T0; + (-tau / Tc * (tau / tau0).ln() + (tau - tau0) / Tc) * c + } else { + (-tau.powf(-t) * Tc.powf(t) / (t * (t + 1.0)) + - tau * T0.powf(t + 1.0) / (Tc * (t + 1.0)) + + T0.powf(t) / t) + * c + } + } + IdealGasFunction::IdealGasHelmholtzEnthalpyEntropyOffset { a1, a2 } => tau * a2 + a1, + } + } +} diff --git a/crates/feos/src/multiparameter/mod.rs b/crates/feos/src/multiparameter/mod.rs new file mode 100644 index 000000000..f8ab47634 --- /dev/null +++ b/crates/feos/src/multiparameter/mod.rs @@ -0,0 +1,305 @@ +//! High-precision multiparameter equations of state for common pure fluids. +//! +//! The residual and ideal gas contributions are always parametrized jointly for +//! multiparameter equations of state. Construct the equation of state by reading +//! parameters, e.g., [MultiParameterParameters::from_json], and passing them to +//! the equation of state with [MultiParameter::new]. + +use feos_core::parameter::Parameters; +use feos_core::{EquationOfState, IdealGas, Molarweight, ResidualDyn, StateHD, Subset}; +use nalgebra::DVector; +use num_dual::DualNum; +use quantity::MolarWeight; +use serde::Deserialize; +use std::f64::consts::E; + +mod ideal_gas_function; +mod residual_function; +use ideal_gas_function::{IdealGasFunction, IdealGasFunctionJson}; +use residual_function::{ResidualFunction, ResidualFunctionJson}; + +/// Pure-component parameters for a multiparameter equation of state +/// (residual and ideal gas contributions). +#[derive(Clone, Deserialize)] +pub struct MultiParameterRecord { + tc: f64, + rhoc: f64, + residual: Vec, + ideal_gas: Vec, +} + +/// Parameter set required for the multiparameter equation of state. +pub type MultiParameterParameters = Parameters; + +/// Residual contribution of the multiparameter equation of state. +#[derive(Clone)] +pub struct MultiParameter { + tc: f64, + rhoc: f64, + terms: Vec, + molar_weight: MolarWeight>, +} + +/// Ideal gas contribution of the multiparameter equation of state. +#[derive(Clone)] +pub struct MultiParameterIdealGas { + tc: f64, + rhoc: f64, + terms: Vec, +} + +/// Multiparameter equation of state consisting of a residual and a corresponding ideal gas contribution. +pub type MultiParameterEquationOfState = + EquationOfState, MultiParameter>; + +impl MultiParameter { + pub fn new(mut parameters: MultiParameterParameters) -> MultiParameterEquationOfState { + if parameters.pure.len() != 1 { + panic!("Multiparameter equations of state are only implemented for pure components!"); + } + let record = parameters.pure.pop().unwrap().model_record; + let terms = record.residual.into_iter().flatten().collect(); + + let residual = Self { + tc: record.tc, + rhoc: record.rhoc, + terms, + molar_weight: parameters.molar_weight, + }; + + let terms = record.ideal_gas.into_iter().flatten().collect(); + let ideal_gas = MultiParameterIdealGas { + tc: record.tc, + rhoc: record.rhoc, + terms, + }; + + EquationOfState::new(vec![ideal_gas], residual) + } +} + +impl ResidualDyn for MultiParameter { + fn components(&self) -> usize { + 1 + } + + fn compute_max_density + Copy>(&self, _: &DVector) -> D { + // Not sure what value works well here. This one is based on rho_c = 0.31*rho_max. + D::from(6.02214076e-7 * self.rhoc / 0.31) + } + + fn reduced_helmholtz_energy_density_contributions + Copy>( + &self, + state: &StateHD, + ) -> Vec<(&'static str, D)> { + let rho = state.partial_density.sum(); + let delta = rho / (6.02214076e-7 * self.rhoc); + let tau = state.temperature.recip() * self.tc; + vec![( + "Multiparameter", + self.terms + .iter() + .map(|r| r.evaluate(delta, tau) * rho) + .sum(), + )] + } +} + +impl Molarweight for MultiParameter { + fn molar_weight(&self) -> MolarWeight> { + self.molar_weight.clone() + } +} + +impl Subset for MultiParameter { + fn subset(&self, _: &[usize]) -> Self { + self.clone() + } +} + +impl IdealGas for MultiParameterIdealGas { + fn ln_lambda3 + Copy>(&self, temperature: D2) -> D2 { + let tau = temperature.recip() * self.tc; + // bit of a hack to convert from phi^0 into ln Lambda^3 + let delta = D2::from(E / (6.02214076e-7 * self.rhoc)); + self.terms.iter().map(|r| r.evaluate(delta, tau)).sum() + } + + fn ideal_gas_model(&self) -> &'static str { + "Ideal Gas (Multiparameter)" + } +} + +#[cfg(test)] +mod test { + use approx::{assert_relative_eq, assert_relative_ne}; + use feos_core::parameter::IdentifierOption; + use feos_core::{SolverOptions, State, Total}; + use nalgebra::{Dyn, SVector, U2, dvector}; + use num_dual::{Dual2Vec, hessian}; + use quantity::{GRAM, KELVIN, KILO, KILOGRAM, METER, MOL, RGAS}; + use typenum::P3; + + use super::*; + + fn water() -> MultiParameterEquationOfState { + let parameters = Parameters::from_json( + vec!["Water"], + "../../parameters/multiparameter/coolprop.json", + None, + IdentifierOption::Name, + ) + .unwrap(); + MultiParameter::new(parameters) + } + + #[test] + fn test_phi_r_1() { + let t = 500.; + let rho = 838.025; + let eos = water(); + let tau = eos.tc / t; + let delta = rho / (eos.rhoc * eos.molar_weight.get(0).convert_into(KILO * GRAM / MOL)); + let (phi, dphi, d2phi) = hessian( + |x| { + let [delta, tau] = x.data.0[0]; + eos.terms + .iter() + .map(|f| f.evaluate(delta, tau)) + .sum::>() + }, + &SVector::from([delta, tau]), + ); + println!("{}\n{}\n{}", phi, dphi, d2phi); + assert_eq!(format!("{phi:.8}"), "-3.42693206"); + assert_eq!(format!("{:.8}", dphi[0]), "-0.36436665"); + assert_eq!(format!("{:.8}", dphi[1]), "-5.81403435"); + assert_eq!(format!("{:.8}", d2phi[(0, 0)]), "0.85606370"); + assert_eq!(format!("{:.8}", d2phi[(0, 1)]), "-1.12176915"); + assert_eq!(format!("{:.8}", d2phi[(1, 1)]), "-2.23440737"); + } + + #[test] + fn test_phi_r_2() { + let t = 647.; + let rho = 358.; + let eos = water(); + let tau = eos.tc / t; + let delta = rho / (eos.rhoc * eos.molar_weight.get(0).convert_into(KILO * GRAM / MOL)); + let (phi, dphi, d2phi) = hessian( + |x| { + let [delta, tau] = x.data.0[0]; + eos.terms + .iter() + .map(|f| f.evaluate(delta, tau)) + .sum::>() + }, + &SVector::from([delta, tau]), + ); + println!("{}\n{}\n{}", phi, dphi, d2phi); + assert_eq!(format!("{phi:.8}"), "-1.21202657"); + assert_eq!(format!("{:.8}", dphi[0]), "-0.71401202"); + assert_eq!(format!("{:.8}", dphi[1]), "-3.21722501"); + assert_eq!(format!("{:.8}", d2phi[(0, 0)]), "0.47573070"); + assert_eq!(format!("{:.8}", d2phi[(0, 1)]), "-1.33214720"); + assert_eq!(format!("{:.8}", d2phi[(1, 1)]), "-9.96029507"); + } + + #[test] + fn test_phi_o_1() { + let t = 500.; + let rho = 838.025; + let eos = water(); + let tau = eos.tc / t; + let delta = rho / (eos.rhoc * eos.molar_weight.get(0).convert_into(KILO * GRAM / MOL)); + let (phi, dphi, d2phi) = hessian( + |x| { + let [delta, tau] = x.data.0[0]; + eos.ideal_gas[0] + .terms + .iter() + .map(|r| r.evaluate(delta, tau)) + .sum::>() + }, + &SVector::from([delta, tau]), + ); + println!("{}\n{}\n{}", phi, dphi, d2phi); + assert_eq!(format!("{phi:.7}"), "2.0479773"); + assert_eq!(format!("{:.8}", dphi[0]), "0.38423675"); + assert_eq!(format!("{:.8}", dphi[1]), "9.04611106"); + assert_eq!(format!("{:.8}", d2phi[(0, 0)]), "-0.14763788"); + assert_eq!(format!("{:.8}", d2phi[(0, 1)]), "-0.00000000"); + assert_eq!(format!("{:.8}", d2phi[(1, 1)]), "-1.93249185"); + } + + #[test] + fn test_phi_o_2() { + let t = 647.; + let rho = 358.; + let eos = water(); + let tau = eos.tc / t; + let delta = rho / (eos.rhoc * eos.molar_weight.get(0).convert_into(KILO * GRAM / MOL)); + let (phi, dphi, d2phi) = hessian( + |x| { + let [delta, tau] = x.data.0[0]; + eos.ideal_gas[0] + .terms + .iter() + .map(|r| r.evaluate(delta, tau)) + .sum::>() + }, + &SVector::from([delta, tau]), + ); + println!("{}\n{}\n{}", phi, dphi, d2phi); + assert_eq!(format!("{phi:.8}"), "-1.56319605"); + assert_eq!(format!("{:.8}", dphi[0]), "0.89944134"); + assert_eq!(format!("{:.8}", dphi[1]), "9.80343918"); + assert_eq!(format!("{:.8}", d2phi[(0, 0)]), "-0.80899473"); + assert_eq!(format!("{:.8}", d2phi[(0, 1)]), "-0.00000000"); + assert_eq!(format!("{:.8}", d2phi[(1, 1)]), "-3.43316334"); + } + + #[test] + fn test_ideal_gas_hack() { + let t = 647. * KELVIN; + let rho = 358. * KILOGRAM / METER.powi::(); + let eos = &water(); + let mw = eos.molar_weight.get(0); + let moles = dvector![1.8] * MOL; + let a_feos = eos.ideal_gas_helmholtz_energy(t, moles.sum() * mw / rho, &moles); + let phi_feos = (a_feos / RGAS / moles.sum() / t).into_value(); + println!("A: {a_feos}"); + println!("phi(feos): {phi_feos}"); + let delta = (rho / (eos.rhoc * MOL / METER.powi::() * mw)).into_value(); + let tau = (eos.tc * KELVIN / t).into_value(); + let phi = eos.ideal_gas[0] + .terms + .iter() + .map(|r| r.evaluate(delta, tau)) + .sum::(); + println!("phi(IAPWS): {phi}"); + assert_relative_eq!(phi_feos, phi, max_relative = 1e-15) + } + + #[test] + fn test_critical_point() { + let eos = &water(); + let options = SolverOptions { + verbosity: feos_core::Verbosity::Iter, + ..Default::default() + }; + let cp: State<_, Dyn, f64> = + State::critical_point(&eos, None, Some(647. * KELVIN), None, options).unwrap(); + println!("{cp}"); + assert_relative_eq!(cp.temperature, eos.tc * KELVIN, max_relative = 1e-13); + let cp: State<_, Dyn, f64> = + State::critical_point(&eos, None, None, None, Default::default()).unwrap(); + println!("{cp}"); + assert_relative_ne!(cp.temperature, eos.tc * KELVIN, max_relative = 1e-13); + let cp: State<_, Dyn, f64> = + State::critical_point(&eos, None, Some(700.0 * KELVIN), None, Default::default()) + .unwrap(); + println!("{cp}"); + assert_relative_eq!(cp.temperature, eos.tc * KELVIN, max_relative = 1e-13) + } +} diff --git a/crates/feos/src/multiparameter/residual_function.rs b/crates/feos/src/multiparameter/residual_function.rs new file mode 100644 index 000000000..d39d71062 --- /dev/null +++ b/crates/feos/src/multiparameter/residual_function.rs @@ -0,0 +1,196 @@ +use num_dual::DualNum; +use serde::Deserialize; +use serde_json::Value; +use std::collections::HashMap; + +#[derive(Clone, Deserialize)] +pub struct ResidualFunctionJson { + #[serde(rename = "type")] + ty: String, + #[serde(flatten)] + parameters: HashMap>, +} + +pub struct ResidualFunctionIterator { + inner: ResidualFunctionJson, + count: usize, + index: usize, +} + +impl Iterator for ResidualFunctionIterator { + type Item = ResidualFunction; + + fn next(&mut self) -> Option { + if self.index == self.count { + return None; + } + let mut parameters: HashMap<_, _> = self + .inner + .parameters + .iter() + .map(|(k, v)| (k.clone(), v[self.index].clone())) + .collect(); + self.index += 1; + parameters.insert("type".into(), serde_json::to_value(&self.inner.ty).unwrap()); + Some(serde_json::from_value(serde_json::to_value(parameters).unwrap()).unwrap()) + } +} + +impl IntoIterator for ResidualFunctionJson { + type Item = ResidualFunction; + type IntoIter = ResidualFunctionIterator; + + fn into_iter(self) -> Self::IntoIter { + let count = self.parameters.values().next().unwrap().len(); + ResidualFunctionIterator { + count, + inner: self, + index: 0, + } + } +} + +#[derive(Clone, Copy, Deserialize)] +#[serde(tag = "type")] +pub enum ResidualFunction { + ResidualHelmholtzPower { + d: i32, + l: i32, + n: f64, + t: f64, + }, + ResidualHelmholtzGaussian { + d: i32, + n: f64, + t: f64, + beta: f64, + epsilon: f64, + eta: f64, + gamma: f64, + }, + ResidualHelmholtzNonAnalytic { + #[serde(rename = "A")] + aa: f64, + #[serde(rename = "B")] + bb: f64, + #[serde(rename = "C")] + cc: f64, + #[serde(rename = "D")] + dd: f64, + a: f64, + b: f64, + beta: f64, + n: f64, + }, + ResidualHelmholtzExponential { + d: i32, + g: f64, + l: i32, + n: f64, + t: i32, + }, + ResidualHelmholtzDoubleExponential { + d: i32, + gd: f64, + gt: f64, + ld: i32, + lt: i32, + n: f64, + t: i32, + }, + ResidualHelmholtzGaoB { + b: f64, + beta: f64, + d: i32, + epsilon: f64, + eta: f64, + gamma: f64, + n: f64, + t: f64, + }, + ResidualHelmholtzLemmon2005 { + d: i32, + l: i32, + m: f64, + n: f64, + t: f64, + }, +} + +impl ResidualFunction { + pub fn evaluate + Copy>(&self, delta: D, tau: D) -> D { + match *self { + ResidualFunction::ResidualHelmholtzPower { d, l, n, t } => { + let mut pre = delta.powi(d) * tau.powf(t) * n; + if l != 0 { + pre *= (-delta.powi(l)).exp() + }; + pre + } + ResidualFunction::ResidualHelmholtzGaussian { + d, + n, + t, + beta, + epsilon, + eta, + gamma, + } => { + (delta.powi(d) * tau.powf(t) * n) + * (-(delta - epsilon).powi(2) * eta - (tau - gamma).powi(2) * beta).exp() + } + ResidualFunction::ResidualHelmholtzNonAnalytic { + aa, + bb, + cc, + dd, + a, + b, + beta, + n, + } => { + let delta_m1 = (delta - 1.0).powi(2); + let psi = (-delta_m1 * cc - (tau - 1.0).powi(2) * dd).exp(); + let theta = -tau + 1.0 + delta_m1.powf(0.5 / beta) * aa; + let ddelta = theta * theta + delta_m1.powf(a) * bb; + ddelta.powf(b) * delta * psi * n + } + ResidualFunction::ResidualHelmholtzExponential { d, g, l, n, t } => { + delta.powi(d) * tau.powi(t) * n * (-delta.powi(l) * g).exp() + } + ResidualFunction::ResidualHelmholtzDoubleExponential { + d, + gd, + gt, + ld, + lt, + n, + t, + } => delta.powi(d) * tau.powi(t) * n * (-delta.powi(ld) * gd - tau.powi(lt) * gt).exp(), + ResidualFunction::ResidualHelmholtzGaoB { + b, + beta, + d, + epsilon, + eta, + gamma, + n, + t, + } => { + let f_delta = delta.powi(d) * ((delta - epsilon).powi(2) * eta).exp(); + let f_tau = tau.powf(t) * ((tau - gamma).powi(2) * beta + b).recip().exp(); + f_tau * f_delta * n + } + ResidualFunction::ResidualHelmholtzLemmon2005 { d, l, m, n, t } => { + let mut pre = delta.powi(d) * tau.powf(t) * n; + if l != 0 { + pre *= (-delta.powi(l)).exp() + } + if m > 0.0 { + pre *= (-tau.powf(m)).exp() + } + pre + } + } + } +} diff --git a/crates/feos/src/pcsaft/parameters.rs b/crates/feos/src/pcsaft/parameters.rs index fc4cd83e0..9b8037e27 100644 --- a/crates/feos/src/pcsaft/parameters.rs +++ b/crates/feos/src/pcsaft/parameters.rs @@ -142,6 +142,7 @@ impl PcSaftRecord { } } +/// Association parameters for the PC-SAFT equation of state. #[derive(Serialize, Deserialize, Clone, Copy, Debug, PartialEq)] pub struct PcSaftAssociationRecord { /// Association volume parameter diff --git a/parameters/multiparameter/README.md b/parameters/multiparameter/README.md new file mode 100644 index 000000000..44755036e --- /dev/null +++ b/parameters/multiparameter/README.md @@ -0,0 +1,7 @@ +# Parameters for pure-component Helmholtz energy models + +This directory contains files with parameters for multiparameter equations of state. + +|file|description|Link| +|-|-|:-:| +[`coolprop.json`](coolprop.json) | the list of pure fluids contained in the open-source software CoolProp | [🔗](https://coolprop.org/fluid_properties/PurePseudoPure.html) | diff --git a/parameters/multiparameter/coolprop.json b/parameters/multiparameter/coolprop.json new file mode 100644 index 000000000..5b90f151d --- /dev/null +++ b/parameters/multiparameter/coolprop.json @@ -0,0 +1,18231 @@ +[ + { + "identifier": { + "name": "m-Xylene" + }, + "molarweight": 106.16499999999999, + "tc": 616.89, + "rhoc": 2665, + "ideal_gas": [ + { + "a1": 12.652887, + "a2": 0.45975624, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 1.169909, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 4.44312, + 2.862794, + 24.83298, + 16.26077 + ], + "t": [ + 0.259365527079382, + 0.3079965634067662, + 2.160839047480102, + 5.667136766684498 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + }, + { + "a1": -7.79365691983003e-08, + "a2": -0.919512475110122, + "reference": "NBP", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 8, + 4, + 1, + 1, + 2, + 3, + 1, + 3, + 2, + 2, + 7 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 1, + 2, + 1 + ], + "n": [ + 1.2791017e-05, + 0.041063111, + 1.505996, + -2.3095875, + -0.46969, + 0.171031, + -1.001728, + -0.3945766, + 0.6970578, + -0.3002876, + -0.024311 + ], + "t": [ + 1, + 0.91, + 0.231, + 0.772, + 1.205, + 0.323, + 2.7, + 3.11, + 0.768, + 4.1, + 0.818 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 1.66, + 1.9354, + 1.0323, + 78 + ], + "d": [ + 1, + 1, + 3, + 3 + ], + "epsilon": [ + 0.713, + 0.9169, + 0.6897, + 0.7245 + ], + "eta": [ + 1.0244, + 1.3788, + 0.9806, + 6.3563 + ], + "gamma": [ + 1.1013, + 0.6515, + 0.4975, + 1.26 + ], + "n": [ + 0.815488, + -0.330647, + -0.123393, + -0.54661 + ], + "t": [ + 2, + 2.9, + 3.83, + 0.5 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "Neopentane" + }, + "molarweight": 72.14878, + "tc": 433.74, + "rhoc": 3270, + "ideal_gas": [ + { + "a1": 0.8702452614, + "a2": 1.6071746358, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 14.422, + 12.868, + 17.247, + 12.663 + ], + "t": [ + 1.636925346982063, + 3.977036934569097, + 7.562133997325587, + 17.9531516576751 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 3, + 7, + 2, + 5, + 1, + 4, + 3, + 4 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 2, + 2, + 3, + 3 + ], + "n": [ + 1.1136, + -3.1792, + 1.1411, + -0.10467, + 0.11754, + 0.00034058, + 0.29553, + -0.074765, + -0.31474, + -0.099401, + -0.039569, + 0.023177 + ], + "t": [ + 0.25, + 1.125, + 1.5, + 1.375, + 0.25, + 0.875, + 0.625, + 1.75, + 3.625, + 3.625, + 14.5, + 12 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "Argon" + }, + "molarweight": 39.948, + "tc": 150.687, + "rhoc": 13407.42965855612, + "ideal_gas": [ + { + "a1": 8.31666243, + "a2": -4.94651164, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 1.5, + "type": "IdealGasHelmholtzLogTau" + }, + { + "a1": -18.6104772308484, + "a2": 4.94617011642842, + "reference": "OTH", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 1, + 1, + 2, + 2, + 2, + 2, + 3, + 3, + 4, + 1, + 1, + 3, + 4, + 4, + 5, + 7, + 10, + 10, + 2, + 2, + 4, + 4, + 8, + 3, + 5, + 5, + 6, + 6, + 7, + 7, + 8, + 9, + 5, + 6 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 2, + 2, + 2, + 2, + 2, + 3, + 3, + 3, + 3, + 3, + 3, + 3, + 3, + 3, + 4, + 4 + ], + "n": [ + 0.088722304990011, + 0.70514805167298, + -1.682011565409, + -0.14909014431486, + -0.1202480460094, + -0.12164978798599, + 0.40035933626752, + -0.27136062699129, + 0.24211924579645, + 0.005788958318557, + -0.041097335615341, + 0.024710761541614, + -0.32181391750702, + 0.33230017695794, + 0.031019986287345, + -0.030777086002437, + 0.093891137419581, + -0.090643210682031, + -0.00045778349276654, + -8.2659729025197e-05, + 0.00013013415603147, + -0.011397840001996, + -0.024455169960535, + -0.064324067175955, + 0.058889471093674, + -0.00064933552112965, + -0.013889862158435, + 0.4048983929691, + -0.38612519594749, + -0.18817142332233, + 0.15977647596482, + 0.053985518513856, + -0.028953417958014, + -0.013025413381384, + 0.0028948696775778, + -0.0022647134304796, + 0.0017616456196368 + ], + "t": [ + 0, + 0.25, + 1, + 2.75, + 4, + 0, + 0.25, + 0.75, + 2.75, + 0, + 2, + 0.75, + 3, + 3.5, + 1, + 2, + 4, + 3, + 0, + 0.5, + 1, + 1, + 7, + 5, + 6, + 6, + 10, + 13, + 14, + 11, + 14, + 8, + 14, + 6, + 7, + 24, + 22 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 250, + 375, + 300, + 225 + ], + "d": [ + 2, + 1, + 2, + 3 + ], + "epsilon": [ + 1, + 1, + 1, + 1 + ], + "eta": [ + 20, + 20, + 20, + 20 + ], + "gamma": [ + 1.11, + 1.14, + 1.17, + 1.11 + ], + "n": [ + 0.0058552454482774, + -0.69251908270028, + 1.5315490030516, + -0.0027380447449783 + ], + "t": [ + 3, + 1, + 0, + 0 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "HydrogenChloride" + }, + "molarweight": 36.460899999999995, + "tc": 324.68, + "rhoc": 11870, + "ideal_gas": [ + { + "a1": -4.069044527, + "a2": 4.0257768311, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 2.5, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 0.0033327, + 0.935243, + 0.209996 + ], + "t": [ + 0.9239866945915979, + 12.319822594554639, + 19.403720586423557 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 3, + 1, + 3, + 2, + 2, + 7 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 1, + 2, + 1 + ], + "n": [ + 0.01952802, + 1.926809, + -2.835744, + -0.2276121, + 0.08843713, + -2.433471, + -0.2636625, + 0.6307008, + -0.6382638, + -0.006851438 + ], + "t": [ + 1.0, + 0.553, + 1.037, + 0.817, + 0.378, + 1.523, + 2.656, + 1.338, + 2.828, + 0.75 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 0.95, + 0.92, + 1550, + 1.2, + 0.89 + ], + "d": [ + 1, + 1, + 3, + 2, + 2 + ], + "epsilon": [ + 0.855, + 0.91, + 0.942, + 0.702, + 0.487 + ], + "eta": [ + 1.141, + 1.162, + 34.6, + 1.175, + 0.99 + ], + "gamma": [ + 1.56, + 1.14, + 1.06, + 0.94, + 1.25 + ], + "n": [ + 7.363661, + -1.262993, + -0.006539739, + -0.8752692, + -3.224835 + ], + "t": [ + 0.644, + 2.892, + 0.76, + 1.323, + 0.693 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "n-Hexane" + }, + "molarweight": 86.17536, + "tc": 507.82, + "rhoc": 2706, + "ideal_gas": [ + { + "a1": 12.313791358169851, + "a2": -1.3163412546284243, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 9.21, + 6.04, + 25.3, + 10.96 + ], + "t": [ + 0.3741483202709622, + 5.9076050569099285, + 2.9538025284549643, + 8.861407585364892 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 3, + 1, + 3, + 2, + 2, + 7 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 1, + 2, + 1 + ], + "n": [ + 0.0446249, + 1.740621, + -2.050688, + -0.7724346, + 0.2116422, + -3.187864, + -1.134719, + 0.6817086, + -1.111314, + -0.02377251 + ], + "t": [ + 1.0, + 0.303, + 0.845, + 1.055, + 0.523, + 1.48, + 2.06, + 1.19, + 1.883, + 0.98 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 0.7, + 0.52, + 0.69, + 0.88, + 180.0 + ], + "d": [ + 1, + 3, + 2, + 2, + 1 + ], + "epsilon": [ + 0.767, + 0.707, + 0.692, + 0.46, + 0.92 + ], + "eta": [ + 0.864, + 1.094, + 0.751, + 1.062, + 6.6 + ], + "gamma": [ + 1.21, + 1.13, + 1.0, + 0.82, + 1.14 + ], + "n": [ + 3.744662, + -0.4322223, + -0.8054799, + -1.055577, + -0.02932639 + ], + "t": [ + 0.94, + 1.47, + 1.11, + 0.895, + 1.73 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "CarbonylSulfide" + }, + "molarweight": 60.0751, + "tc": 378.77, + "rhoc": 7410, + "ideal_gas": [ + { + "a1": -3.6587449805, + "a2": 3.7349245016, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 2.5, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 2.1651, + 0.93456, + 1.0623, + 0.34269 + ], + "t": [ + 2.027615703461204, + 3.59848984872086, + 8.382395649074637, + 33.87015867148929 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 3, + 7, + 2, + 5, + 1, + 4, + 3, + 4 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 2, + 2, + 3, + 3 + ], + "n": [ + 0.94374, + -2.5348, + 0.59058, + -0.021488, + 0.082083, + 0.00024689, + 0.21226, + -0.041251, + -0.22333, + -0.050828, + -0.028333, + 0.016983 + ], + "t": [ + 0.25, + 1.125, + 1.5, + 1.375, + 0.25, + 0.875, + 0.625, + 1.75, + 3.625, + 3.625, + 14.5, + 12 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "R11" + }, + "molarweight": 137.368, + "tc": 471.11, + "rhoc": 4032.962, + "ideal_gas": [ + { + "a1": 0, + "a2": 0, + "type": "IdealGasHelmholtzLead" + }, + { + "a": -1, + "type": "IdealGasHelmholtzLogTau" + }, + { + "T0": 298, + "Tc": 471.11, + "cp_over_R": 4.00564923248634, + "type": "IdealGasHelmholtzCP0Constant" + }, + { + "T0": 298, + "Tc": 471.11, + "c": [ + 0.0002228874581905608 + ], + "t": [ + 1 + ], + "type": "IdealGasHelmholtzCP0PolyT" + }, + { + "n": [ + 1, + 2, + 1, + 2, + 1, + 2 + ], + "t": [ + 3.313613168898983, + 2.586756086688884, + 1.634512228566577, + 1.215500498821931, + 1.06738046316147, + 0.7360191462715714 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + }, + { + "a1": -20.0312014458899, + "a2": 12.6387040144928, + "reference": "IIR", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 2, + 3, + 3, + 4, + 4, + 5, + 5, + 5, + 6, + 8, + 1, + 1, + 2, + 2, + 2, + 3, + 4, + 6, + 10, + 3, + 5, + 8, + 9, + 9 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 4, + 6, + 6, + 6, + 6 + ], + "n": [ + 1.25993633881, + -2.60818574641, + 0.00982122542463, + -1.06085385839, + 1.2282036351, + 0.118000776439, + -0.000698956926463, + -0.0355428373358, + 0.00197169579643, + -0.00848363012252, + 0.00417997567653, + -0.000242772533848, + 0.00313371368974, + 3.96182646586e-06, + 0.339736319502, + -0.203010634531, + -0.1060178599, + 0.45156488259, + -0.339265767612, + 0.114338523359, + 0.0319537833995, + 0.036790825978, + -9.61768948364e-06, + 0.00246717966418, + -0.00167030256045, + 0.00240710110806, + 0.00156214678738, + -0.00323352596704 + ], + "t": [ + 0.5, + 1.5, + 5, + 1, + 1.5, + 0, + 5, + 2, + 3, + 1, + 2, + 4, + 1, + 4, + 5, + 6, + 3.5, + 5.5, + 7.5, + 3, + 2.5, + 5, + 1.5, + 11, + 9, + 13, + 5, + 9 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "Ethane" + }, + "molarweight": 30.069039999999998, + "tc": 305.322, + "rhoc": 6856.886685, + "ideal_gas": [ + { + "a1": 9.212802589, + "a2": -4.68224855, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3.003039265, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 1.117433359, + 3.467773215, + 6.94194464, + 5.970850948 + ], + "t": [ + 1.409105233, + 4.009917071, + 6.596709834, + 13.97981027 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + }, + { + "a1": -12.3066235581354, + "a2": 7.93255065878148, + "reference": "NBP", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 2, + 2, + 4, + 1, + 1, + 2, + 2, + 3, + 6, + 6, + 7, + 9, + 10, + 2, + 4, + 4, + 5, + 5, + 6, + 8, + 9, + 2, + 3, + 3, + 3, + 4, + 4, + 5, + 5, + 6, + 11, + 14, + 3, + 3, + 4, + 8, + 10 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 3, + 3, + 3, + 3, + 3, + 3, + 3, + 3, + 3, + 3, + 3, + 4, + 4, + 4, + 4, + 4 + ], + "n": [ + 0.83440745735241, + -1.4287360607171, + 0.34430242210927, + -0.42096677920265, + 0.012094500886549, + -0.57976201597341, + -0.033127037870838, + -0.1175165489413, + -0.11160957833067, + 0.062181592654406, + 0.098481795434443, + -0.098268582682358, + -0.00023977831007049, + 0.00069885663328821, + 1.9665987803305e-05, + -0.014586152207928, + 0.046354100536781, + 0.0060764622180645, + -0.0026447330147828, + -0.042931872689904, + 0.0029987786517263, + 0.005291933517501, + -0.0010383897798198, + -0.054260348214694, + -0.21959362918493, + 0.35362456650354, + -0.12477390173714, + 0.18425693591517, + -0.16192256436754, + -0.082770876149064, + 0.050160758096437, + 0.0093614326336655, + -0.00027839186242864, + 2.3560274071481e-05, + 0.0039238329738527, + -0.00076488325813618, + -0.004994430444073, + 0.0018593386407186, + -0.00061404353331199 + ], + "t": [ + 0.25, + 1, + 0.25, + 0.75, + 0.75, + 2, + 4.25, + 0.75, + 2.25, + 3, + 1, + 1.25, + 2.75, + 1, + 2, + 2.5, + 5.5, + 7, + 0.5, + 5.5, + 2.5, + 4, + 2, + 10, + 16, + 18, + 20, + 14, + 18, + 12, + 19, + 7, + 15, + 9, + 26, + 28, + 28, + 22, + 13 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 150, + 150, + 150, + 275, + 400 + ], + "d": [ + 1, + 1, + 3, + 3, + 2 + ], + "epsilon": [ + 1, + 1, + 1, + 1, + 1 + ], + "eta": [ + 15, + 15, + 15, + 20, + 20 + ], + "gamma": [ + 1.05, + 1.05, + 1.05, + 1.22, + 1.16 + ], + "n": [ + -0.0023312179367924, + 0.002930104790876, + -0.00026912472842883, + 184.13834111814, + -10.397127984854 + ], + "t": [ + 0, + 3, + 3, + 0, + 3 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "HeavyWater" + }, + "molarweight": 20.027508, + "tc": 643.847, + "rhoc": 17775.55, + "ideal_gas": [ + { + "a1": -8.670994022646008, + "a2": 6.960335784587801, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3.0, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 0.010633, + 0.99787, + 2.1483, + 0.3549 + ], + "t": [ + 0.47837452065475183, + 2.632613027629235, + 6.1334447469662825, + 16.023993277906087 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 2, + 3, + 1, + 1, + 3, + 2, + 2, + 1 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 2, + 2, + 1, + 2, + 2 + ], + "n": [ + 0.012208206, + 2.9695687, + -3.7900454, + 0.9410896, + -0.92246625, + -0.013960419, + -0.12520357, + -5.553915, + -4.9300974, + -0.035947024, + -9.3617287, + -0.69183515 + ], + "t": [ + 1.0, + 0.6555, + 0.9369, + 0.561, + 0.7017, + 1.0672, + 3.9515, + 4.6, + 5.159, + 0.2, + 5.4644, + 2.366 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 0.42, + 2.4318, + 1.2888, + 8.271, + 0.3673, + 0.9504, + 7.8318, + 3.3281, + 7.1753, + 0.9465, + 1177.0, + 1167.0 + ], + "d": [ + 1, + 3, + 1, + 3, + 1, + 1, + 2, + 2, + 2, + 1, + 1, + 1 + ], + "epsilon": [ + 1.8663, + 0.2895, + 0.5803, + 0.2236, + 0.6815, + 0.9495, + 1.1158, + 0.1607, + 0.4144, + 0.9683, + 0.9488, + 0.9487 + ], + "eta": [ + 0.6014, + 1.4723, + 1.5305, + 2.4297, + 1.3086, + 1.3528, + 3.4456, + 1.2645, + 2.5547, + 1.2148, + 18.738, + 18.677 + ], + "gamma": [ + 1.5414, + 1.3794, + 1.7385, + 1.3045, + 2.7242, + 3.5321, + 2.4552, + 0.8319, + 1.35, + 2.5617, + 1.0491, + 1.0486 + ], + "n": [ + -0.04561106, + -2.245133, + 8.6000607, + -2.4841042, + 16.44769, + 2.7039336, + 37.563747, + -1.7760776, + 2.2092464, + 5.19652, + 0.4210974, + -0.3919211 + ], + "t": [ + 3.4553, + 1.415, + 1.5745, + 3.454, + 3.8106, + 4.895, + 1.43, + 1.587, + 3.79, + 2.62, + 1.9, + 4.32 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "Oxygen" + }, + "molarweight": 31.9988, + "tc": 154.581, + "rhoc": 13630, + "ideal_gas": [ + { + "a1": 0, + "a2": 0, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 2.51808732, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 1.02323928, + 0.784357918, + 0.00337183363, + -0.0170864084, + 0.0463751562 + ], + "t": [ + 14.5316979447668, + 72.8419165356674, + 7.7710849975094, + 0.446425786480874, + 34.4677188658373 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + }, + { + "a1": -14.716836666461498, + "a2": -0.011083985429237124, + "reference": "CUSTOM", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 2, + 2, + 3, + 3, + 3, + 6, + 7, + 7, + 8, + 1, + 1, + 2, + 2, + 3, + 3, + 5, + 6, + 7, + 8, + 10, + 2, + 3, + 3, + 4, + 4, + 5, + 5, + 5 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 4, + 4, + 4, + 4, + 4, + 4, + 4, + 4 + ], + "n": [ + 0.3983768749, + -1.846157454, + 0.4183473197, + 0.02370620711, + 0.09771730573, + 0.03017891294, + 0.02273353212, + 0.01357254086, + -0.04052698943, + 0.0005454628515, + 0.0005113182277, + 2.953466883e-07, + -8.687645072e-05, + -0.2127082589, + 0.08735941958, + 0.127550919, + -0.09067701064, + -0.03540084206, + -0.03623278059, + 0.0132769929, + -0.0003254111865, + -0.008313582932, + 0.002124570559, + -0.0008325206232, + -2.626173276e-05, + 0.002599581482, + 0.009984649663, + 0.002199923153, + -0.02591350486, + -0.1259630848, + 0.1478355637, + -0.01011251078 + ], + "t": [ + 0, + 1.5, + 2.5, + -0.5, + 1.5, + 2, + 0, + 1, + 2.5, + 0, + 2, + 5, + 2, + 5, + 6, + 3.5, + 5.5, + 3, + 7, + 6, + 8.5, + 4, + 6.5, + 5.5, + 22, + 11, + 18, + 11, + 23, + 17, + 18, + 23 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "OrthoHydrogen" + }, + "molarweight": 2.01594, + "tc": 33.22, + "rhoc": 15444.54031369981, + "ideal_gas": [ + { + "a1": -1.4675442336, + "a2": 1.8845068862, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 1.5, + "type": "IdealGasHelmholtzLogTau" + }, + { + "Tcrit": 33.22, + "Tcrit_units": "K", + "n": [ + 2.54151, + -2.3661, + 1.00365, + 1.22447 + ], + "type": "IdealGasHelmholtzPlanckEinsteinFunctionT", + "v": [ + 856, + 1444, + 2194, + 6968 + ] + }, + { + "a1": -4.134063606938863, + "a2": 3.2473248589350554, + "reference": "NBP", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 1, + 4, + 1, + 1, + 2, + 2, + 3, + 1, + 3 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1 + ], + "n": [ + -6.83148, + 0.01, + 2.11505, + 4.38353, + 0.211292, + -1.00939, + 0.142086, + -0.87696, + 0.804927 + ], + "t": [ + 0.7333, + 1, + 1.1372, + 0.5136, + 0.5638, + 1.6248, + 1.829, + 2.404, + 2.105 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 0.4555, + 0.4046, + 0.0869, + 0.4415, + 0.5743 + ], + "d": [ + 2, + 1, + 3, + 1, + 1 + ], + "epsilon": [ + 0.6366, + 0.3876, + 0.9437, + 0.3976, + 0.9626 + ], + "eta": [ + 1.169, + 0.894, + 0.04, + 2.072, + 1.306 + ], + "gamma": [ + 1.5444, + 0.6627, + 0.763, + 0.6587, + 1.4327 + ], + "n": [ + -0.710775, + 0.0639688, + 0.0710858, + -0.087654, + 0.647088 + ], + "t": [ + 4.1, + 7.658, + 1.259, + 7.589, + 3.946 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "CarbonMonoxide" + }, + "molarweight": 28.0101, + "tc": 132.86, + "rhoc": 10850, + "ideal_gas": [ + { + "a1": -3.3728318564, + "a2": 3.3683460039, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 2.5, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + -9.111274701235156e-05 + ], + "t": [ + -1.5 + ], + "type": "IdealGasHelmholtzPower" + }, + { + "n": [ + 1.0128 + ], + "t": [ + 23.25003763359927 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 3, + 7, + 2, + 5, + 1, + 4, + 3, + 4 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 2, + 2, + 3, + 3 + ], + "n": [ + 0.90554, + -2.4515, + 0.53149, + 0.024173, + 0.072156, + 0.00018818, + 0.19405, + -0.043268, + -0.12778, + -0.027896, + -0.034154, + 0.016329 + ], + "t": [ + 0.25, + 1.125, + 1.5, + 1.375, + 0.25, + 0.875, + 0.625, + 1.75, + 3.625, + 3.625, + 14.5, + 12 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "R143a" + }, + "molarweight": 84.041, + "tc": 345.857, + "rhoc": 5128.45, + "ideal_gas": [ + { + "a1": 5.903087, + "a2": 7.307253, + "type": "IdealGasHelmholtzLead" + }, + { + "a": -1, + "type": "IdealGasHelmholtzLogTau" + }, + { + "T0": 273.15, + "Tc": 345.857, + "c": [ + 1.0578 + ], + "t": [ + 0.33 + ], + "type": "IdealGasHelmholtzCP0PolyT" + }, + { + "n": [ + 4.4402, + 3.7515 + ], + "t": [ + 5.178440800677737, + 2.379596191489546 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + }, + { + "a1": -20.4128125563124, + "a2": 4.0000801727654, + "reference": "IIR", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 5, + 1, + 3, + 5, + 7, + 1, + 2, + 2, + 3, + 4, + 2, + 3, + 5 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 1, + 1, + 2, + 2, + 2, + 2, + 2, + 3, + 3, + 3 + ], + "n": [ + 7.7736443, + -8.70185, + -0.27779799, + 0.1460922, + 0.0089581616, + -0.20552116, + 0.10653258, + 0.023270816, + -0.013247542, + -0.04279387, + 0.36221685, + -0.25671899, + -0.092326113, + 0.083774837, + 0.017128445, + -0.01725611, + 0.0049080492 + ], + "t": [ + 0.67, + 0.833, + 1.7, + 1.82, + 0.35, + 3.9, + 0.95, + 0, + 1.19, + 7.2, + 5.9, + 7.65, + 7.5, + 7.45, + 15.5, + 22, + 19 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "R115" + }, + "molarweight": 154.46641599999998, + "tc": 353.1, + "rhoc": 3980.0, + "ideal_gas": [ + { + "a1": 0, + "a2": 0, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 7.142, + 10.61 + ], + "t": [ + 0.8184650240725007, + 3.6845086377796656 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + }, + { + "a1": -13.405002276849826, + "a2": 10.001553773783856, + "reference": "IIR", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 3, + 7, + 1, + 2, + 5, + 1, + 1, + 4, + 2 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 1, + 2, + 2, + 2, + 3 + ], + "n": [ + 1.20873, + -3.5446, + 0.745302, + 0.114128, + 0.000436572, + 0.988385, + 1.13878, + -0.0215633, + -0.63023, + 0.0167901, + -0.149412, + -0.0271153 + ], + "t": [ + 0.25, + 1.25, + 1.5, + 0.25, + 0.875, + 2.375, + 2.0, + 2.125, + 3.5, + 6.5, + 4.75, + 12.5 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "DimethylCarbonate" + }, + "molarweight": 90.0779, + "tc": 557, + "rhoc": 4000, + "ideal_gas": [ + { + "a1": 4.9916462, + "a2": -0.1709449, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 8.28421, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 1.48525, + 0.822585, + 16.2453, + 1.15925 + ], + "t": [ + 0.03770197486535009, + 2.405745062836625, + 3.001795332136445, + 13.27648114901257 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 5, + 1, + 1, + 2, + 3, + 4, + 1, + 2, + 7, + 1, + 2, + 3 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 1, + 2, + 2, + 2 + ], + "n": [ + 0.00052683187, + 1.353396, + -2.649283, + -0.2785412, + 0.1742554, + 0.031606252, + 0.399866, + 1.178144, + -0.0235281, + -1.015, + -0.7880436, + -0.12696 + ], + "t": [ + 1, + 0.227, + 1.05, + 1.06, + 0.5, + 0.78, + 1.3, + 1.347, + 0.706, + 2, + 2.5, + 4.262 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 1.24, + 0.821, + 15.45, + 2.21, + 437, + 0.743 + ], + "d": [ + 1, + 1, + 2, + 2, + 3, + 3 + ], + "epsilon": [ + 0.6734, + 0.9239, + 0.8636, + 1.0507, + 0.8482, + 0.7522 + ], + "eta": [ + 0.9667, + 1.5154, + 1.0591, + 1.6642, + 12.4856, + 0.9662 + ], + "gamma": [ + 1.2827, + 0.4317, + 1.1217, + 1.1871, + 1.1243, + 0.4203 + ], + "n": [ + 1.2198, + -0.4883, + -0.0033293, + -0.0035387, + -0.51172, + -0.16882 + ], + "t": [ + 1, + 2.124, + 0.4, + 3.5, + 0.5, + 2.7 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "n-Heptane" + }, + "molarweight": 100.202, + "tc": 540.13, + "rhoc": 2315.323047444163, + "ideal_gas": [ + { + "a1": -1.599437140443368, + "a2": 0, + "type": "IdealGasHelmholtzLead" + }, + { + "a": -1, + "type": "IdealGasHelmholtzLogTau" + }, + { + "T0": 371.533277446, + "Tc": 540.13, + "c": [ + 4, + 13.7266, + 169.789, + 30.4707, + 836.195 + ], + "type": "IdealGasHelmholtzCP0AlyLee" + }, + { + "T0": 371.533277446, + "Tc": 540.13, + "c": [ + 0, + 43.5561, + 1760.46, + 0, + 0 + ], + "type": "IdealGasHelmholtzCP0AlyLee" + }, + { + "a1": 12.1096994176959, + "a2": 0.37483941500785, + "reference": "NBP", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 3, + 7, + 2, + 5, + 1, + 4, + 3, + 4 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 2, + 2, + 3, + 3 + ], + "n": [ + 1.0543748, + -2.6500682, + 0.81730048, + -0.30451391, + 0.12253869, + 0.00027266473, + 0.49865826, + -0.00071432815, + -0.54236896, + -0.13801822, + -0.0061595287, + 0.0004860251 + ], + "t": [ + 0.25, + 1.125, + 1.5, + 1.375, + 0.25, + 0.875, + 0.625, + 1.75, + 3.625, + 3.625, + 14.5, + 12 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "R245fa" + }, + "molarweight": 134.04794, + "tc": 427.01, + "rhoc": 3875, + "ideal_gas": [ + { + "a1": -13.4283638514, + "a2": 9.87236538, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 5.5728, + 10.385, + 12.554 + ], + "t": [ + 0.5197115834815994, + 2.364453600524394, + 5.735555763648281 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 3, + 1, + 3, + 2, + 2, + 7 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 1, + 2, + 1 + ], + "n": [ + 0.057506623, + 1.5615975, + -2.3614485, + -0.51773521, + 0.18509788, + -0.87405626, + -0.27530955, + 0.57971151, + -0.39934306, + -0.033230277 + ], + "t": [ + 1.0, + 0.27, + 0.9, + 1.09, + 0.4, + 2.9, + 1.7, + 0.8, + 3.6, + 1.05 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 1.879, + 2.454, + 1.256, + 21.1 + ], + "d": [ + 1, + 1, + 3, + 3 + ], + "epsilon": [ + 0.709, + 0.939, + 0.703, + 0.777 + ], + "eta": [ + 1.011, + 1.447, + 1.079, + 7.86 + ], + "gamma": [ + 1.081, + 0.651, + 0.468, + 1.293 + ], + "n": [ + 0.83210508, + -0.335443, + -0.10117801, + -0.0091495867 + ], + "t": [ + 1.8, + 4.0, + 4.5, + 2.0 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "o-Xylene" + }, + "molarweight": 106.16499999999999, + "tc": 630.259, + "rhoc": 2684.500000000001, + "ideal_gas": [ + { + "a1": 10.137376, + "a2": -0.91282993, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 2.748798, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 4.754892, + 6.915052, + 25.84813, + 10.93886 + ], + "t": [ + 0.3569960920827787, + 0.9948291099373432, + 2.738556688599449, + 7.83963418213782 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 5, + 1, + 4, + 1, + 1, + 2, + 3, + 1, + 3, + 2, + 2, + 7 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 1, + 2, + 1 + ], + "n": [ + 0.0036765156, + -0.13918171, + 0.014104203, + 1.5398899, + -2.3600925, + -0.44359159, + 0.19596977, + -1.0909408, + -0.21890801, + 1.1179223, + -0.93563815, + -0.018102996 + ], + "t": [ + 1, + 0.6, + 0.91, + 0.3, + 0.895, + 1.167, + 0.435, + 2.766, + 3.8, + 1.31, + 3, + 0.77 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 2.442, + 1.342, + 3, + 450 + ], + "d": [ + 1, + 1, + 3, + 3 + ], + "epsilon": [ + 0.552, + 0.728, + 0.498, + 0.894 + ], + "eta": [ + 1.1723, + 1.095, + 1.6166, + 20.4 + ], + "gamma": [ + 1.2655, + 0.3959, + 0.7789, + 1.162 + ], + "n": [ + 1.4172368, + -0.57134695, + -0.081944041, + -40.682878 + ], + "t": [ + 1.41, + 4.8, + 1.856, + 2 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "MethylPalmitate" + }, + "molarweight": 270.45066, + "tc": 755, + "rhoc": 897, + "ideal_gas": [ + { + "a1": -1, + "a2": 0, + "type": "IdealGasHelmholtzLead" + }, + { + "a": -1, + "type": "IdealGasHelmholtzLogTau" + }, + { + "T0": 298, + "Tc": 755, + "c": [ + 14.49629032366697 + ], + "t": [ + 0.0801627 + ], + "type": "IdealGasHelmholtzCP0PolyT" + }, + { + "n": [ + 41.56848444495333, + 34.76324173080383, + 36.27879196658549 + ], + "t": [ + 3.910423841059603, + 0.9730503311258278, + 2.110662251655629 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + }, + { + "a1": 50.7611531834779, + "a2": -21.442651306684, + "reference": "NBP", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 3, + 1, + 3, + 2, + 2, + 7 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 1, + 2, + 1 + ], + "n": [ + 0.04282821, + 2.443162, + -3.75754, + -0.1588526, + 0.0405599, + -1.52409, + -0.7686167, + 1.79995, + -1.590967, + -0.01267681 + ], + "t": [ + 1, + 0.36, + 1.22, + 1.45, + 0.7, + 3, + 3.9, + 2.2, + 2.9, + 1.25 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 0.9, + 0.65, + 0.75 + ], + "d": [ + 1, + 1, + 3 + ], + "epsilon": [ + 0.79, + 0.9, + 0.76 + ], + "eta": [ + 1.1, + 1.6, + 1.1 + ], + "gamma": [ + 1.14, + 0.65, + 0.77 + ], + "n": [ + 2.198347, + -0.7737211, + -0.431452 + ], + "t": [ + 2.6, + 3, + 3.2 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "R12" + }, + "molarweight": 120.91300000000001, + "tc": 385.12, + "rhoc": 4672.781255944357, + "ideal_gas": [ + { + "a1": 10.0100905, + "a2": -4.66434985, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3.00361975, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 3.16062357, + 0.371258136, + 3.56226039, + 2.12152336 + ], + "t": [ + 3.72204562, + 6.30985083, + 1.78037889, + 1.07087607 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + }, + { + "a1": -24.7279903483588, + "a2": 14.0673715241366, + "reference": "IIR", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 4, + 6, + 8, + 1, + 1, + 5, + 7, + 12, + 12, + 14, + 1, + 9, + 1, + 1, + 3, + 3, + 5, + 9 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 2, + 2, + 3, + 3, + 3, + 3, + 3, + 4 + ], + "n": [ + 2.075343402, + -2.962525996, + 0.01001589616, + 0.01781347612, + 0.02556929157, + 0.002352142637, + -8.495553314e-05, + -0.01535945599, + -0.2108816776, + -0.01654228806, + -0.0118131613, + -4.16029583e-05, + 2.784861664e-05, + 1.618686433e-06, + -0.1064614686, + 0.0009369665207, + 0.02590095447, + -0.04347025025, + 0.1012308449, + -0.1100003438, + -0.003361012009, + 0.0003789190008 + ], + "t": [ + 0.5, + 1, + 2, + 2.5, + -0.5, + 0, + 0, + -0.5, + 1.5, + 2.5, + -0.5, + 0, + 0.5, + -0.5, + 4, + 4, + 2, + 4, + 12, + 14, + 0, + 14 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "Benzene" + }, + "molarweight": 78.1118, + "tc": 562.02, + "rhoc": 3902, + "ideal_gas": [ + { + "a1": -0.6740687105, + "a2": 2.5560188958, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 2.94645, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 7.36374, + 18.649, + 4.01834 + ], + "t": [ + 7.32358279064802, + 2.6885164229031, + 1.120956549588983 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + }, + { + "a1": -2.8421709430404e-12, + "a2": 4.99600884354027e-11, + "reference": "NBP", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 3, + 1, + 3, + 2, + 2, + 7 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 1, + 2, + 1 + ], + "n": [ + 0.03513062, + 2.229707, + -3.100459, + -0.5763224, + 0.2504179, + -0.7049091, + -0.1393433, + 0.8319673, + -0.3310741, + -0.02793578 + ], + "t": [ + 1, + 0.3, + 0.744, + 1.174, + 0.68, + 2.5, + 3.67, + 1.26, + 2.6, + 0.95 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 1.867, + 1.766, + 1.824, + 297.5 + ], + "d": [ + 1, + 1, + 3, + 3 + ], + "epsilon": [ + 0.7289, + 0.9074, + 0.7655, + 0.8711 + ], + "eta": [ + 1.032, + 1.423, + 1.071, + 14.35 + ], + "gamma": [ + 1.118, + 0.6392, + 0.6536, + 1.164 + ], + "n": [ + 0.7087408, + -0.3723906, + -0.06267414, + -0.86295 + ], + "t": [ + 1, + 2.47, + 3.35, + 0.75 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "MD3M" + }, + "molarweight": 384.839, + "tc": 628.0, + "rhoc": 700, + "ideal_gas": [ + { + "a1": 68.11672041661723, + "a2": -29.80919654255515, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3.0, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 81.2386, + 61.191, + 51.1798 + ], + "t": [ + 0.9713375796178344, + 3.9808917197452227, + 11.94267515923567 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 3, + 1, + 3, + 2, + 2, + 7 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 1, + 2, + 1 + ], + "n": [ + 0.040674325, + 4.4936509, + -6.0327468, + -1.0842396, + 0.65985153, + -2.3011802, + -1.5022099, + 0.5051725, + -2.2363839, + -0.071582853 + ], + "t": [ + 1.0, + 0.37, + 0.718, + 0.79, + 0.59, + 2.38, + 3.14, + 0.62, + 2.08, + 1.042 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 0.86, + 1099.0, + 0.95, + 0.1, + 1.85 + ], + "d": [ + 1, + 1, + 3, + 2, + 2 + ], + "epsilon": [ + 0.725, + 0.94, + 0.546, + 0.68, + 0.495 + ], + "eta": [ + 1.043, + 20.0, + 1.08, + 0.47, + 1.085 + ], + "gamma": [ + 1.357, + 1.097, + 1.03, + 1.02, + 0.8 + ], + "n": [ + 4.7053488, + -0.774783117, + -0.68302991, + 0.41657104, + -1.1441135 + ], + "t": [ + 0.9, + 0.86, + 2.06, + 0.55, + 0.69 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "n-Butane" + }, + "molarweight": 58.1222, + "tc": 425.125, + "rhoc": 3922.769612987809, + "ideal_gas": [ + { + "a1": 12.54882924, + "a2": -5.46976878, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3.24680487, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 5.54913289, + 11.4648996, + 7.59987584, + 9.66033239 + ], + "t": [ + 0.774840445, + 3.340602552, + 4.970513096, + 9.975553778 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + }, + { + "a1": -17.9737888338978, + "a2": 10.3892639083242, + "reference": "IIR", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 3, + 4, + 4, + 1, + 1, + 2, + 7, + 8, + 8, + 1, + 2, + 3, + 3, + 4, + 5, + 5, + 10, + 2, + 6 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 1, + 1, + 1, + 1, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 3, + 3 + ], + "n": [ + 2.5536998241635, + -4.4585951806696, + 0.82425886369063, + 0.11215007011442, + -0.035910933680333, + 0.016790508518103, + 0.032734072508724, + 0.95571232982005, + -1.0003385753419, + 0.085581548803855, + -0.025147918369616, + -0.0015202958578918, + 0.004706068232642, + -0.097845414174006, + -0.04831790415876, + 0.17841271865468, + 0.018173836739334, + -0.11399068074953, + 0.019329896666669, + 0.001157587740101, + 0.00015253808698116, + -0.043688558458471, + -0.0082403190629989 + ], + "t": [ + 0.5, + 1, + 1.5, + 0, + 0.5, + 0.5, + 0.75, + 2, + 2.5, + 2.5, + 1.5, + 1, + 1.5, + 4, + 7, + 3, + 7, + 3, + 1, + 6, + 0, + 6, + 13 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 150, + 200 + ], + "d": [ + 1, + 2 + ], + "epsilon": [ + 0.85, + 1 + ], + "eta": [ + 10, + 10 + ], + "gamma": [ + 1.16, + 1.13 + ], + "n": [ + -0.028390056949441, + 0.0014904666224681 + ], + "t": [ + 2, + 0 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "R125" + }, + "molarweight": 120.0214, + "tc": 339.173, + "rhoc": 4779, + "ideal_gas": [ + { + "a1": 37.2674, + "a2": 8.88404, + "type": "IdealGasHelmholtzLead" + }, + { + "a": -1, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + -49.8651 + ], + "t": [ + -0.1 + ], + "type": "IdealGasHelmholtzPower" + }, + { + "n": [ + 2.303, + 5.086, + 7.3 + ], + "t": [ + 0.92578, + 2.22895, + 5.03283 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 4, + 1, + 1, + 2, + 2, + 3, + 4, + 5, + 1, + 5, + 1, + 2, + 3, + 5 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 2, + 2, + 3, + 2, + 3, + 3 + ], + "m": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 1.7, + 7, + 6 + ], + "n": [ + 5.28076, + -8.67658, + 0.7501127, + 0.7590023, + 0.01451899, + 4.777189, + -3.330988, + 3.775673, + -2.290919, + 0.8888268, + -0.6234864, + -0.04127263, + -0.08455389, + -0.1308752, + 0.008344962, + -1.532005, + -0.05883649, + 0.02296658 + ], + "t": [ + 0.669, + 1.05, + 2.75, + 0.956, + 1, + 2, + 2.75, + 2.38, + 3.37, + 3.47, + 2.63, + 3.45, + 0.72, + 4.23, + 0.2, + 4.5, + 29, + 24 + ], + "type": "ResidualHelmholtzLemmon2005" + } + ] + }, + { + "identifier": { + "name": "R404A" + }, + "molarweight": 97.6038, + "tc": 345.27, + "rhoc": 4939.999999999999, + "ideal_gas": [ + { + "a1": 7.00407, + "a2": 7.98695, + "type": "IdealGasHelmholtzLead" + }, + { + "a": -1, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + -18.8664 + ], + "t": [ + -0.3 + ], + "type": "IdealGasHelmholtzPower" + }, + { + "n": [ + 0.63078, + 3.5979, + 5.0335 + ], + "t": [ + 1.19617, + 2.32861, + 5.00188 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 2, + 4, + 6, + 1, + 1, + 1, + 2, + 2, + 3, + 4, + 7, + 2, + 3, + 4, + 4, + 2, + 3, + 5 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 2, + 2, + 2, + 2, + 3, + 3, + 3 + ], + "n": [ + 6.10984, + -7.79453, + 0.0183377, + 0.26227, + -0.00351688, + 0.0116181, + 0.00105992, + 0.850922, + -0.520084, + -0.0464225, + 0.62119, + -0.195505, + 0.336159, + -0.0376062, + -0.00636579, + -0.0758262, + -0.0221041, + 0.0310441, + 0.0132798, + 0.0689437, + -0.0507525, + 0.0161382 + ], + "t": [ + 0.67, + 0.91, + 5.96, + 0.7, + 6, + 0.3, + 0.7, + 1.7, + 3.3, + 7, + 2.05, + 4.3, + 2.7, + 1.8, + 1.25, + 12, + 6, + 8.7, + 11.6, + 13, + 17, + 16 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "Hydrogen" + }, + "molarweight": 2.0158799999999997, + "tc": 33.145, + "rhoc": 15508, + "ideal_gas": [ + { + "a1": -1.4579856475, + "a2": 1.888076782, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 1.5, + "type": "IdealGasHelmholtzLogTau" + }, + { + "Tcrit": 33.145, + "Tcrit_units": "K", + "n": [ + 1.616, + -0.4117, + -0.792, + 0.758, + 1.217 + ], + "type": "IdealGasHelmholtzPlanckEinsteinFunctionT", + "v": [ + 531, + 751, + 1989, + 2484, + 6859 + ] + } + ], + "residual": [ + { + "d": [ + 1, + 4, + 1, + 1, + 2, + 2, + 3, + 1, + 3 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1 + ], + "n": [ + -6.93643, + 0.01, + 2.1101, + 4.52059, + 0.732564, + -1.34086, + 0.130985, + -0.777414, + 0.351944 + ], + "t": [ + 0.6844, + 1, + 0.989, + 0.489, + 0.803, + 1.1444, + 1.409, + 1.754, + 1.311 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 0.171, + 0.2245, + 0.1304, + 0.2785, + 0.3967 + ], + "d": [ + 2, + 1, + 3, + 1, + 1 + ], + "epsilon": [ + 1.506, + 0.156, + 1.736, + 0.67, + 1.662 + ], + "eta": [ + 1.685, + 0.489, + 0.103, + 2.506, + 1.607 + ], + "gamma": [ + 0.7164, + 1.3444, + 1.4517, + 0.7204, + 1.5445 + ], + "n": [ + -0.0211716, + 0.0226312, + 0.032187, + -0.0231752, + 0.0557346 + ], + "t": [ + 4.187, + 5.646, + 0.791, + 7.249, + 2.986 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "D4" + }, + "molarweight": 296.61576, + "tc": 586.5, + "rhoc": 1043, + "ideal_gas": [ + { + "_note": "a1 and a2 calculated by IB. Values in Thol thesis incorrect", + "a1": 71.1636049792958, + "a2": -21.6743650975623, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 0.292757, + 38.2456, + 58.975 + ], + "t": [ + 0.06820119352088662, + 0.3410059676044331, + 3.0690537084398977 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 3, + 1, + 3, + 2, + 2, + 7 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 1, + 2, + 1 + ], + "n": [ + 0.05273743, + 4.176401, + -4.73707, + -1.289588, + 0.5272749, + -2.558391, + -0.9726737, + 0.7208209, + -0.4789456, + -0.05563239 + ], + "t": [ + 1.0, + 0.27, + 0.51, + 0.998, + 0.56, + 1.75, + 3.09, + 0.79, + 2.71, + 0.998 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 0.75, + 0.55, + 1, + 0.47, + 1.36 + ], + "d": [ + 1, + 1, + 3, + 2, + 2 + ], + "epsilon": [ + 0.926, + 1.3, + 1.114, + 0.996, + 0.483 + ], + "eta": [ + 0.861, + 1.114, + 1.01, + 1.11, + 1.032 + ], + "gamma": [ + 1.124, + 1.388, + 1.148, + 1.197, + 0.817 + ], + "n": [ + 3.766589, + 0.08786997, + -0.1267646, + -1.004246, + -1.641887 + ], + "t": [ + 0.93, + 3.17, + 1.08, + 1.41, + 0.89 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "SES36" + }, + "molarweight": 184.85, + "tc": 450.7, + "rhoc": 2800, + "ideal_gas": [ + { + "a1": 0, + "a2": 0, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 12.09, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 85.26 + ], + "t": [ + 4.874639449744842 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + }, + { + "a1": -24.5714365589605, + "a2": 9.90994603225193, + "reference": "IIR", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 3, + 1, + 3, + 2, + 2, + 7 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 1, + 2, + 1 + ], + "n": [ + 0.0675748, + 1.76939, + -2.7609, + -0.566938, + 0.243576, + -1.50937, + -0.774081, + 0.953907, + -1.43736, + -0.0458514 + ], + "t": [ + 1, + 0.3, + 0.947, + 1.08, + 0.44, + 1.7, + 1.5, + 1.35, + 2.1, + 0.97 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 1.7, + 1.55, + 1.07, + 87 + ], + "d": [ + 1, + 1, + 3, + 3 + ], + "epsilon": [ + 0.713, + 0.917, + 0.69, + 0.748 + ], + "eta": [ + 1.023, + 1.383, + 1, + 7 + ], + "gamma": [ + 1.1, + 0.64, + 0.5, + 1.26 + ], + "n": [ + 2.46053, + -0.903158, + -0.288664, + 0.061038 + ], + "t": [ + 0.8, + 2, + 2.5, + 4 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "ParaHydrogen" + }, + "molarweight": 2.0158799999999997, + "tc": 32.938, + "rhoc": 15538, + "ideal_gas": [ + { + "a1": -1.4485891134, + "a2": 1.884521239, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 1.5, + "type": "IdealGasHelmholtzLogTau" + }, + { + "Tcrit": 32.938, + "Tcrit_units": "K", + "n": [ + 4.30256, + 13.0289, + -47.7365, + 50.0013, + -18.6261, + 0.993973, + 0.536078 + ], + "type": "IdealGasHelmholtzPlanckEinsteinFunctionT", + "v": [ + 499, + 826.5, + 970.8, + 1166.2, + 1341.4, + 5395, + 10185 + ] + } + ], + "residual": [ + { + "d": [ + 1, + 4, + 1, + 1, + 2, + 2, + 3, + 1, + 3 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1 + ], + "n": [ + -7.33375, + 0.01, + 2.60375, + 4.66279, + 0.68239, + -1.47078, + 0.135801, + -1.05327, + 0.328239 + ], + "t": [ + 0.6855, + 1, + 1, + 0.489, + 0.774, + 1.133, + 1.386, + 1.619, + 1.162 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 0.194, + 0.2019, + 0.0301, + 0.2383, + 0.3253 + ], + "d": [ + 2, + 1, + 3, + 1, + 1 + ], + "epsilon": [ + 1.5487, + 0.1785, + 1.28, + 0.6319, + 1.7104 + ], + "eta": [ + 1.7437, + 0.5516, + 0.0634, + 2.1341, + 1.777 + ], + "gamma": [ + 0.8048, + 1.5248, + 0.6648, + 0.6832, + 1.493 + ], + "n": [ + -0.0577833, + 0.0449743, + 0.0703464, + -0.0401766, + 0.11951 + ], + "t": [ + 3.96, + 5.276, + 0.99, + 6.791, + 3.19 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "R113" + }, + "molarweight": 187.375, + "tc": 487.21, + "rhoc": 2988.659106070714, + "ideal_gas": [ + { + "a1": 13.1479282, + "a2": -5.4053715, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 2.9999966, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 12.4464495, + 2.72181845, + 0.692712415, + 3.32248298 + ], + "t": [ + 1.04971737, + 3.29788641, + 8.62650812, + 3.29670446 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + }, + { + "a1": -35.0036997726949, + "a2": 17.3478156256033, + "reference": "IIR", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 2, + 3, + 4, + 8, + 8, + 3, + 3, + 3, + 5, + 1, + 2, + 2, + 9, + 3, + 7, + 8 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 1, + 1, + 2, + 2, + 2, + 2, + 3, + 3, + 4 + ], + "n": [ + 0.8432092286, + -2.019185967, + 0.2920612996, + 0.05323107661, + 0.003214971931, + 4.667858574e-05, + -1.227522799e-06, + 0.8167288718, + -1.340790803, + 0.4065752705, + -0.1534754634, + -0.02414435149, + -0.02113056197, + -0.03565436205, + 0.001364654968, + -0.01251838755, + -0.001385761351, + 0.0007206335486 + ], + "t": [ + 0.5, + 1.5, + 1.5, + -0.5, + 2, + 0, + 3, + -0.5, + 0, + 2, + 1.5, + 6, + 2, + 10, + 6, + 18, + 15, + 33 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "R161" + }, + "molarweight": 48.0595, + "tc": 375.25, + "rhoc": 6280, + "ideal_gas": [ + { + "a1": -6.9187, + "a2": 5.4788, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 2.059, + 9.253, + 6.088 + ], + "t": [ + 1.11925383077948, + 4.125249833444371, + 10.34510326449034 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + }, + { + "a1": 4.21805657510139e-05, + "a2": -4.5424171382829e-06, + "reference": "IIR", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 2, + 3, + 4, + 2, + 7, + 1, + 2, + 3 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 2, + 2, + 2 + ], + "n": [ + 1.511, + -2.3, + -0.457, + 0.1683, + 0.04133, + 0.62187, + -0.0265, + -1.03, + -0.285, + -0.476 + ], + "t": [ + 0.37, + 0.97, + 1.14, + 0.744, + 1, + 1.26, + 1, + 1.8, + 3, + 2.25 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 2.7, + 5.2, + 3.9, + 4.7, + 413 + ], + "d": [ + 1, + 1, + 3, + 3, + 3 + ], + "epsilon": [ + 0.683, + 0.892, + 0.785, + 1.33, + 0.86 + ], + "eta": [ + 0.96, + 1.35, + 1.26, + 1.23, + 16.8 + ], + "gamma": [ + 0.9, + 0.69, + 0.67, + 0.67, + 1.15 + ], + "n": [ + 0.82, + -0.3532, + -0.116, + -0.0220583, + -1.63148 + ], + "t": [ + 1, + 1.2, + 5.3, + 1, + 4 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "Methane" + }, + "molarweight": 16.0428, + "tc": 190.564, + "rhoc": 10139.128, + "ideal_gas": [ + { + "a1": 9.91243972, + "a2": -6.33270087, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3.0016, + "type": "IdealGasHelmholtzLogTau" + }, + { + "Tcrit": 190.564, + "Tcrit_units": "K", + "n": [ + 0.008449, + 4.6942, + 3.4865, + 1.6572, + 1.4115 + ], + "type": "IdealGasHelmholtzPlanckEinsteinFunctionT", + "v": [ + 648, + 1957, + 3895, + 5705, + 15080 + ] + }, + { + "a1": -12.8829893867948, + "a2": 9.22344625310864, + "reference": "NBP", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 2, + 2, + 2, + 3, + 4, + 4, + 8, + 9, + 10, + 1, + 1, + 1, + 2, + 4, + 5, + 6, + 1, + 2, + 3, + 4, + 4, + 3, + 5, + 5, + 8, + 2, + 3, + 4, + 4, + 4, + 5, + 6 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 2, + 2, + 2, + 2, + 2, + 3, + 3, + 3, + 3, + 4, + 4, + 4, + 4, + 4, + 4, + 4 + ], + "n": [ + 0.04367901028, + 0.6709236199, + -1.765577859, + 0.8582330241, + -1.206513052, + 0.512046722, + -0.0004000010791, + -0.01247842423, + 0.03100269701, + 0.001754748522, + -3.171921605e-06, + -2.24034684e-06, + 2.947056156e-07, + 0.1830487909, + 0.1511883679, + -0.4289363877, + 0.06894002446, + -0.01408313996, + -0.0306305483, + -0.02969906708, + -0.01932040831, + -0.1105739959, + 0.09952548995, + 0.008548437825, + -0.06150555662, + -0.04291792423, + -0.0181320729, + 0.0344590476, + -0.00238591945, + -0.01159094939, + 0.06641693602, + -0.0237154959, + -0.03961624905, + -0.01387292044, + 0.03389489599, + -0.002927378753 + ], + "t": [ + -0.5, + 0.5, + 1, + 0.5, + 1, + 1.5, + 4.5, + 0, + 1, + 3, + 1, + 3, + 3, + 0, + 1, + 2, + 0, + 0, + 2, + 2, + 5, + 5, + 5, + 2, + 4, + 12, + 8, + 10, + 10, + 10, + 14, + 12, + 18, + 22, + 18, + 14 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 200, + 250, + 250, + 250 + ], + "d": [ + 2, + 0, + 0, + 0 + ], + "epsilon": [ + 1, + 1, + 1, + 1 + ], + "eta": [ + 20, + 40, + 40, + 40 + ], + "gamma": [ + 1.07, + 1.11, + 1.11, + 1.11 + ], + "n": [ + 9.324799946e-05, + -6.287171518, + 12.71069467, + -6.423953466 + ], + "t": [ + 2, + 0, + 1, + 2 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "R1234ze(Z)" + }, + "molarweight": 114.0416, + "tc": 423.27, + "rhoc": 4000.0, + "ideal_gas": [ + { + "a1": -2.422442259, + "a2": 8.190539844, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 4.2365, + 13.063 + ], + "t": [ + 0.047251163559902665, + 3.154015167623503 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 3, + 1, + 3, + 2, + 2, + 7 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 1, + 2, + 1 + ], + "n": [ + 0.03194509, + 1.394592, + -2.300799, + -0.2556693, + 0.1282934, + -1.335381, + -1.366494, + 0.2004912, + -0.6489709, + -0.02220033 + ], + "t": [ + 1.0, + 0.333, + 1.0, + 1.0, + 0.38, + 2.85, + 3.16, + 0.607, + 2.2, + 1.0 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 0.563, + 1.724, + 0.806, + 0.505, + 26.4, + 8.82 + ], + "d": [ + 1, + 1, + 3, + 2, + 3, + 2 + ], + "epsilon": [ + 0.933, + 0.786, + 0.496, + 0.327, + 0.523, + 0.308 + ], + "eta": [ + 1.108, + 1.579, + 1.098, + 0.672, + 3.38, + 1.6 + ], + "gamma": [ + 1.246, + 1.05, + 1.0, + 0.677, + 1.302, + 1.274 + ], + "n": [ + 1.66538, + 0.3427048, + -0.6510217, + -0.5067066, + -0.1231787, + 0.08828106 + ], + "t": [ + 1.83, + 3.3, + 1.9, + 2.6, + 2.9, + 3.0 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "Ethanol" + }, + "molarweight": 46.06844, + "tc": 514.71, + "rhoc": 5930, + "ideal_gas": [ + { + "a1": -12.7531, + "a2": 9.39094, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3.43069, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 2.14326, + 5.09206, + 6.60138, + 5.70777 + ], + "t": [ + 0.816771, + 2.59175, + 3.80408, + 8.58736 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + }, + { + "a1": 9.10869959576363, + "a2": -4.32013218872146, + "reference": "NBP", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 2, + 3, + 1, + 1, + 1, + 3, + 3, + 2, + 2, + 6, + 6, + 8 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 2, + 1, + 2, + 1, + 2, + 1, + 1, + 1 + ], + "n": [ + 0.058200796, + 0.94391227, + -0.80941908, + 0.55359038, + -1.4269032, + 0.13448717, + 0.42671978, + -1.1700261, + -0.92405872, + 0.34891808, + -0.9132772, + 0.022629481, + -0.15513423, + 0.21055146, + -0.2199769, + -0.0065857238 + ], + "t": [ + 1, + 1.04, + 2.72, + 1.174, + 1.329, + 0.195, + 2.43, + 1.274, + 4.16, + 3.3, + 4.177, + 2.5, + 0.81, + 2.02, + 1.606, + 0.86 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 1.207, + 0.0895, + 0.581, + 0.947, + 2.356, + 27.01, + 4.542, + 1.287, + 3.09 + ], + "d": [ + 1, + 1, + 2, + 3, + 3, + 2, + 2, + 2, + 1 + ], + "epsilon": [ + 0.779, + 0.805, + 1.869, + 0.694, + 1.312, + 2.054, + 0.441, + 0.793, + 0.313 + ], + "eta": [ + 1.075, + 0.463, + 0.876, + 1.108, + 0.741, + 4.032, + 2.453, + 2.3, + 3.143 + ], + "gamma": [ + 1.194, + 1.986, + 1.583, + 0.756, + 0.495, + 1.002, + 1.077, + 1.493, + 1.542 + ], + "n": [ + 0.75564749, + 0.1069411, + -0.069533844, + -0.24947395, + 0.027177891, + -0.0009053953, + -0.12310953, + -0.08977971, + -0.39512601 + ], + "t": [ + 2.5, + 3.72, + 1.19, + 3.25, + 3, + 2, + 2, + 1, + 1 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "R365MFC" + }, + "molarweight": 148.07451999999998, + "tc": 460, + "rhoc": 3200, + "ideal_gas": [ + { + "a1": -16.3423704513, + "a2": 10.2889710846, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 17.47, + 16.29 + ], + "t": [ + 1.236956521739131, + 4.852173913043479 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 2, + 2, + 4, + 1, + 3, + 6, + 6, + 2, + 3 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 1, + 1, + 2, + 2 + ], + "n": [ + 2.20027, + -2.8624, + 0.384559, + -0.621227, + 0.0665967, + -1.19383, + 0.635935, + 0.461728, + -0.533472, + -1.07101, + 0.13929 + ], + "t": [ + 0.24, + 0.67, + 0.5, + 1.25, + 1, + 3.35, + 2.5, + 0.96, + 1.07, + 5.6, + 6.9 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 1.07, + 1.08, + 10.9, + 22.6 + ], + "d": [ + 1, + 1, + 1, + 2 + ], + "epsilon": [ + 1.02, + 0.62, + 0.53, + 0.48 + ], + "eta": [ + 0.97, + 0.94, + 2.15, + 2.66 + ], + "gamma": [ + 1.48, + 1.49, + 1.01, + 1.16 + ], + "n": [ + -0.385506, + 0.885653, + 0.226303, + -0.166116 + ], + "t": [ + 3, + 3.6, + 5, + 1.25 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "n-Propane" + }, + "molarweight": 44.095620000000004, + "tc": 369.89, + "rhoc": 5000.000000000001, + "ideal_gas": [ + { + "a1": -4.970583, + "a2": 4.29352, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 3.043, + 5.874, + 9.337, + 7.922 + ], + "t": [ + 1.062478, + 3.344237, + 5.363757, + 11.762957 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 2, + 1, + 3, + 6, + 6, + 2, + 3 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 1, + 1, + 2, + 2 + ], + "n": [ + 0.042910051, + 1.7313671, + -2.4516524, + 0.34157466, + -0.46047898, + -0.66847295, + 0.20889705, + 0.19421381, + -0.22917851, + -0.60405866, + 0.066680654 + ], + "t": [ + 1, + 0.33, + 0.8, + 0.43, + 0.9, + 2.46, + 2.09, + 0.88, + 1.09, + 3.25, + 4.62 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 2.33, + 3.47, + 3.15, + 3.19, + 0.92, + 18.8, + 547.8 + ], + "d": [ + 1, + 1, + 1, + 2, + 2, + 4, + 1 + ], + "epsilon": [ + 1.283, + 0.6936, + 0.788, + 0.473, + 0.8577, + 0.271, + 0.948 + ], + "eta": [ + 0.963, + 1.977, + 1.917, + 2.307, + 2.546, + 3.28, + 14.6 + ], + "gamma": [ + 0.684, + 0.829, + 1.419, + 0.817, + 1.5, + 1.426, + 1.093 + ], + "n": [ + 0.017534618, + 0.33874242, + 0.22228777, + -0.23219062, + -0.09220694, + -0.47575718, + -0.017486824 + ], + "t": [ + 0.76, + 2.5, + 2.75, + 3.05, + 2.55, + 8.4, + 6.75 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "R1234ze(E)" + }, + "molarweight": 114.04159279999999, + "tc": 382.513, + "rhoc": 4290, + "ideal_gas": [ + { + "a1": 0, + "a2": 0, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3.0, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 9.3575, + 10.717 + ], + "t": [ + 1.34113088966911, + 5.15538034001459 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + }, + { + "a1": -12.5586602313194, + "a2": 8.79132625741231, + "reference": "IIR", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 3, + 1, + 3, + 2, + 2, + 7 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 1, + 2, + 1 + ], + "n": [ + 0.03982797, + 1.812227, + -2.537512, + -0.5333254, + 0.1677031, + -1.323801, + -0.6694654, + 0.8072718, + -0.7740229, + -0.01843846 + ], + "t": [ + 1.0, + 0.223, + 0.755, + 1.24, + 0.44, + 2.0, + 2.2, + 1.2, + 1.5, + 0.9 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 1.21, + 1.37, + 0.98, + 171, + 47.4, + 15.4 + ], + "d": [ + 1, + 1, + 3, + 3, + 2, + 1 + ], + "epsilon": [ + 0.728, + 0.87, + 0.855, + 0.79, + 1.3, + 0.71 + ], + "eta": [ + 1.0, + 1.61, + 1.24, + 9.34, + 5.78, + 3.08 + ], + "gamma": [ + 0.943, + 0.642, + 0.59, + 1.2, + 1.33, + 0.64 + ], + "n": [ + 1.407916, + -0.4237082, + -0.2270068, + -0.805213, + 0.00994318, + -0.008798793 + ], + "t": [ + 1.33, + 1.75, + 2.11, + 1, + 1.5, + 1 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "R507A" + }, + "molarweight": 98.8592, + "tc": 343.765, + "rhoc": 4964.029650250053, + "ideal_gas": [ + { + "a1": 9.93541, + "a2": 7.9985, + "type": "IdealGasHelmholtzLead" + }, + { + "a": -1, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + -21.6054 + ], + "t": [ + -0.25 + ], + "type": "IdealGasHelmholtzPower" + }, + { + "n": [ + 0.95006, + 4.1887, + 5.5184 + ], + "t": [ + 1.05886, + 2.37081, + 5.14305 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + }, + { + "a1": -0.000171976752843711, + "a2": -1.94367029874932e-05, + "reference": "IIR", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 2, + 4, + 6, + 1, + 1, + 1, + 2, + 2, + 3, + 4, + 7, + 2, + 3, + 4, + 4, + 2, + 3, + 5 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 2, + 2, + 2, + 2, + 3, + 3, + 3 + ], + "n": [ + 6.24982, + -8.07855, + 0.0264843, + 0.286215, + -0.00507076, + 0.0109552, + 0.00116124, + 1.38469, + -0.922473, + -0.0503562, + 0.822098, + -0.277727, + 0.358172, + -0.0126426, + -0.0060701, + -0.0815653, + -0.0233323, + 0.0352952, + 0.0159566, + 0.0755927, + -0.0542007, + 0.0170451 + ], + "t": [ + 0.692, + 0.943, + 5.8, + 0.77, + 5.84, + 0.24, + 0.69, + 2, + 3, + 7, + 2.2, + 4.3, + 2.7, + 1.2, + 1.23, + 12, + 6, + 8.5, + 11.5, + 13, + 17, + 16.2 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "Ethylene" + }, + "molarweight": 28.05376, + "tc": 282.35, + "rhoc": 7636.76598074554, + "ideal_gas": [ + { + "a1": 8.68815523, + "a2": -4.47960564, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 2.49395851, + 3.0027152, + 2.5126584, + 3.99064217 + ], + "t": [ + 4.43266896, + 5.74840149, + 7.8027825, + 15.5851154 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + }, + { + "a1": -12.2225787966305, + "a2": 7.89924916929716, + "reference": "NBP", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 2, + 4, + 1, + 1, + 3, + 4, + 5, + 7, + 10, + 11, + 1, + 1, + 2, + 2, + 4, + 4, + 6, + 7, + 4, + 5, + 6, + 6, + 7, + 8, + 9, + 10 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 3, + 4, + 4, + 4, + 4, + 4, + 4, + 4, + 4 + ], + "n": [ + 1.861742910067, + -3.0913708460844, + -0.17384817095516, + 0.08037098569284, + 0.23682707317354, + 0.021922786610247, + 0.11827885813193, + -0.021736384396776, + 0.044007990661139, + 0.12554058863881, + -0.13167945577241, + -0.0052116984575897, + 0.00015236081265419, + -2.4505335342756e-05, + 0.28970524924022, + -0.18075836674288, + 0.15057272878461, + -0.14093151754458, + 0.022755109070253, + 0.014026070529061, + 0.0061697454296214, + -0.00041286083451333, + 0.012885388714785, + -0.069128692157093, + 0.10936225568483, + -0.0081818875271794, + -0.05641847211717, + 0.0016517867750633, + 0.0095904006517001, + -0.0026236572984886 + ], + "t": [ + 0.5, + 1, + 2.5, + 0, + 2, + 0.5, + 1, + 4, + 1.25, + 2.75, + 2.25, + 1, + 0.75, + 0.5, + 2.5, + 3.5, + 4, + 6, + 1.5, + 5, + 4.5, + 15, + 20, + 23, + 22, + 29, + 19, + 15, + 13, + 10 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 325, + 300, + 300, + 300, + 300 + ], + "d": [ + 2, + 2, + 2, + 3, + 3 + ], + "epsilon": [ + 1, + 1, + 1, + 1, + 1 + ], + "eta": [ + 25, + 25, + 25, + 25, + 25 + ], + "gamma": [ + 1.16, + 1.19, + 1.19, + 1.19, + 1.19 + ], + "n": [ + -50.242414011355, + 7484.6420119299, + -6873.4299232625, + -935.77982814338, + 941.33024786113 + ], + "t": [ + 1, + 0, + 1, + 2, + 3 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "MethylLinolenate" + }, + "molarweight": 292.45618, + "tc": 772, + "rhoc": 847.3000000000001, + "ideal_gas": [ + { + "a1": -1, + "a2": 0, + "type": "IdealGasHelmholtzLead" + }, + { + "a": -1, + "type": "IdealGasHelmholtzLogTau" + }, + { + "T0": 298, + "Tc": 772, + "c": [ + 9.572622290387171 + ], + "t": [ + 0.214648 + ], + "type": "IdealGasHelmholtzCP0PolyT" + }, + { + "n": [ + 34.92452677692582, + 9.794043446174333, + 57.11499178781286 + ], + "t": [ + 1.571554404145078, + 0.7496787564766839, + 3.626670984455958 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + }, + { + "a1": 49.2444711864376, + "a2": -21.5426591230667, + "reference": "NBP", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 3, + 1, + 3, + 2, + 2, + 7 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 1, + 2, + 1 + ], + "n": [ + 0.04070829, + 2.412375, + -3.756194, + -0.1526466, + 0.04682918, + -1.470958, + -0.76455, + 1.908964, + -1.629366, + -0.01242073 + ], + "t": [ + 1, + 0.15, + 1.24, + 1.6, + 1.28, + 2.9, + 3.15, + 2.16, + 2.8, + 1.4 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 0.9, + 0.65, + 0.75 + ], + "d": [ + 1, + 1, + 3 + ], + "epsilon": [ + 0.79, + 0.9, + 0.76 + ], + "eta": [ + 1.1, + 1.6, + 1.1 + ], + "gamma": [ + 1.14, + 0.65, + 0.77 + ], + "n": [ + 2.180707, + -0.7537264, + -0.4347781 + ], + "t": [ + 2.5, + 3, + 3.1 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "R236EA" + }, + "molarweight": 152.0384, + "tc": 412.44, + "rhoc": 3716.16644216198, + "ideal_gas": [ + { + "a1": -14.121424135, + "a2": 10.2355589225, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 2.762, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 0.7762, + 10.41, + 12.18, + 3.332 + ], + "t": [ + 0.3491416933372127, + 0.93346911065852, + 3.724178062263602, + 17.26554165454369 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 3, + 1, + 3, + 2, + 2, + 7 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 1, + 2, + 1 + ], + "n": [ + 0.051074, + 2.5584, + -2.918, + -0.71485, + 0.15534, + -1.5894, + -0.784, + 0.85767, + -0.67235, + -0.017953 + ], + "t": [ + 1, + 0.264, + 0.5638, + 1.306, + 0.2062, + 2.207, + 2.283, + 1.373, + 2.33, + 0.6376 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 1.3, + 2.479, + 1.068, + 79.85, + 49.06 + ], + "d": [ + 1, + 1, + 3, + 3, + 2 + ], + "epsilon": [ + 0.7119, + 0.9102, + 0.678, + 0.7091, + 1.727 + ], + "eta": [ + 1.019, + 1.341, + 1.034, + 5.264, + 24.44 + ], + "gamma": [ + 1.13, + 0.6691, + 0.465, + 1.28, + 0.8781 + ], + "n": [ + 1.3165, + -0.42023, + -0.28053, + -1.4134, + -6.2617e-06 + ], + "t": [ + 1.08, + 1.67, + 3.502, + 4.357, + 0.6945 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "MDM" + }, + "molarweight": 236.53146, + "tc": 565.3609, + "rhoc": 1134, + "ideal_gas": [ + { + "a1": 117.9946064218, + "a2": -19.6600754238, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 28.817, + 46.951, + 31.054 + ], + "t": [ + 0.0353756335, + 2.7769872306, + 8.3132738751 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 3, + 1, + 3, + 2, + 2, + 7 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 1, + 2, + 1 + ], + "n": [ + 0.05039724, + 1.189992, + -2.468723, + -0.743856, + 0.4434056, + -1.371359, + -1.529621, + 0.4445898, + -1.009921, + -0.05903694 + ], + "t": [ + 1.0, + 0.188, + 1.03, + 0.7, + 0.464, + 2.105, + 1.376, + 0.8, + 1.8, + 1.005 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 0.966, + 0.237, + 0.954, + 0.861, + 0.909 + ], + "d": [ + 1, + 1, + 3, + 2, + 2 + ], + "epsilon": [ + 0.928, + 2.081, + 0.282, + 1.496, + 0.805 + ], + "eta": [ + 0.986, + 1.715, + 0.837, + 1.312, + 1.191 + ], + "gamma": [ + 1.25, + 1.438, + 0.894, + 0.9, + 0.899 + ], + "n": [ + 3.515188, + 0.08367608, + 1.646856, + -0.2851917, + -2.457571 + ], + "t": [ + 0.7, + 0.66, + 1.138, + 1.56, + 1.31 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "Deuterium" + }, + "molarweight": 4.0282, + "tc": 38.34, + "rhoc": 17230, + "ideal_gas": [ + { + "a1": -2.0677351753, + "a2": 2.4237151502, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 1.5, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + -3.54145, + 3.0326, + -3.52422, + -1.73421, + -3.57135, + 2.14858, + 6.23107, + -3.30425, + 6.23098, + -3.57137, + 3.32901, + 0.97782 + ], + "t": [ + 187.1178925404277, + 225.2217005738132, + 23.54460093896714, + 4.723526343244653, + 11.43714136671883, + 131.3041210224309, + 7.039645279081897, + 5.996348461137194, + 17.38132498695879, + 11.81011997913406, + 5.007824726134585, + 30.97548252477829 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 3, + 1, + 3, + 2, + 2, + 2, + 1, + 1, + 3, + 2 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 2, + 2, + 2, + 2 + ], + "n": [ + 0.006267958, + 10.53609, + -10.14149, + 0.356061, + 0.1824472, + -1.129638, + -0.0549812, + -0.6791329, + 1.347918, + -0.8657582, + 1.719146, + -1.917977, + 0.1233365, + -0.07936891 + ], + "t": [ + 1, + 0.462, + 0.5584, + 0.627, + 1.201, + 0.309, + 1.314, + 1.1166, + 1.25, + 1.25, + 1.395, + 1.627, + 1, + 2.5 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 0.613, + 0.584, + 0.57, + 1.056, + 1.01, + 1.025, + 1.029 + ], + "d": [ + 1, + 1, + 2, + 3, + 3, + 1, + 3 + ], + "epsilon": [ + 1.46, + 1.7864, + 1.647, + 0.541, + 0.969, + 1.892, + 1.076 + ], + "eta": [ + 0.868, + 0.636, + 0.668, + 0.65, + 0.745, + 0.782, + 0.693 + ], + "gamma": [ + 0.6306, + 0.711, + 0.6446, + 0.8226, + 0.992, + 1.2184, + 1.203 + ], + "n": [ + 1.686617, + -4.240326, + 1.857114, + -0.5903705, + 1.520171, + 2.361373, + -2.297315 + ], + "t": [ + 0.635, + 0.664, + 0.7082, + 2.25, + 1.524, + 0.67, + 0.709 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "R14" + }, + "molarweight": 88.0046, + "tc": 227.51, + "rhoc": 7109.4194, + "ideal_gas": [ + { + "a1": 0, + "a2": 0, + "type": "IdealGasHelmholtzLead" + }, + { + "a": -1, + "type": "IdealGasHelmholtzLogTau" + }, + { + "T0": 298.15, + "Tc": 227.51, + "c": [ + 3.946282613411975, + -0.008858129431283382, + 0.0001393877086940782, + -3.005436298807747e-07, + 2.050274501811892e-10 + ], + "t": [ + 0, + 1, + 2, + 3, + 4 + ], + "type": "IdealGasHelmholtzCP0PolyT" + }, + { + "a1": -14.8563435687485, + "a2": 20.1558709204447, + "reference": "OTH", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 1, + 1, + 2, + 2, + 2, + 3, + 3, + 4, + 4, + 5, + 0, + 0, + 0 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0 + ], + "n": [ + 1.03999039734947, + -2.4579202542559, + 0.799614558381524, + -0.749498955282594, + 0.152177772596398, + -0.293408332036298, + 0.717794503774445, + -0.0426467444751902, + 0.226562749725952, + -0.39109169477402, + -0.0257394805543082, + 0.0554844886106659, + 0.00610988262947185, + -0.33469874882651, + 0.586690904512625, + -0.147068929694523 + ], + "t": [ + 0, + 1, + 2, + 3, + 4, + 0, + 1, + 2, + 0, + 1, + 0, + 1, + 1, + 3, + 4, + 5 + ], + "type": "ResidualHelmholtzPower" + }, + { + "d": [ + 2, + 2, + 2, + 0, + 0, + 0 + ], + "g": [ + 0.99832625, + 0.99832625, + 0.99832625, + 0.99832625, + 0.99832625, + 0.99832625 + ], + "l": [ + 2, + 2, + 2, + 2, + 2, + 2 + ], + "n": [ + -0.190315426348019, + 0.716157134745809, + -0.703161905301754, + 0.33469874882651, + -0.586690904512625, + 0.147068929694523 + ], + "t": [ + 3, + 4, + 5, + 3, + 4, + 5 + ], + "type": "ResidualHelmholtzExponential" + } + ] + }, + { + "identifier": { + "name": "R124" + }, + "molarweight": 136.4762, + "tc": 395.425, + "rhoc": 4103.279546177282, + "ideal_gas": [ + { + "a1": -11.669406, + "a2": 9.8760443, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 2.175638, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + -7.389735, + 0.8736831, + -0.1115133 + ], + "t": [ + -1, + -2, + -3 + ], + "type": "IdealGasHelmholtzPower" + }, + { + "a1": -0.000144036507408073, + "a2": 7.30088431548676e-05, + "reference": "IIR", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 2, + 3, + 5, + 6, + 8, + 2, + 12, + 1, + 1, + 1, + 1, + 15, + 3, + 3, + 4, + 9 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 2, + 2, + 2, + 2, + 2, + 3, + 3, + 4, + 4 + ], + "n": [ + -0.01262962, + 2.168373, + -3.330033, + 0.1610361, + -9.666145e-05, + 0.0119131, + -0.002880217, + 0.001681346, + 1.594968e-05, + 0.1289674, + 1.182213e-05, + -0.4713997, + -0.2412873, + 0.6868066, + -0.08621095, + 4.728645e-06, + 0.01487933, + -0.03001338, + 0.001849606, + 0.0004126073 + ], + "t": [ + 2, + 0.5, + 1, + 0.5, + 2.5, + -1, + 1, + 0, + -0.5, + 1.5, + 1, + 2.5, + -0.25, + 1, + 5, + 2, + 15, + 20, + 15, + 45 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "EthylBenzene" + }, + "molarweight": 106.16499999999999, + "tc": 617.12, + "rhoc": 2741.016, + "ideal_gas": [ + { + "a1": 5.70409, + "a2": -0.52414353, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 4.2557889, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 9.7329909, + 11.201832, + 25.440749 + ], + "t": [ + 0.9479517759917034, + 7.16230230749287, + 2.710980036297641 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 5, + 1, + 4, + 1, + 1, + 2, + 3, + 1, + 3, + 2, + 2, + 7 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 1, + 2, + 1 + ], + "n": [ + 0.0018109418, + -0.076824284, + 0.041823789, + 1.5059649, + -2.4122441, + -0.47788846, + 0.18814732, + -1.0657412, + -0.20797007, + 1.1222031, + -0.99300799, + -0.027300984 + ], + "t": [ + 1, + 1, + 0.92, + 0.27, + 0.962, + 1.033, + 0.513, + 2.31, + 3.21, + 1.26, + 2.29, + 1 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 2.437, + 1.488, + 4, + 418.6 + ], + "d": [ + 1, + 1, + 3, + 3 + ], + "epsilon": [ + 0.5494, + 0.7235, + 0.493, + 0.8566 + ], + "eta": [ + 1.178, + 1.07, + 1.775, + 15.45 + ], + "gamma": [ + 1.2667, + 0.4237, + 0.8573, + 1.15 + ], + "n": [ + 1.3757894, + -0.44477155, + -0.07769742, + -2.16719 + ], + "t": [ + 0.6, + 3.6, + 2.1, + 0.5 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "Xenon" + }, + "molarweight": 131.293, + "tc": 289.733, + "rhoc": 8400, + "ideal_gas": [ + { + "a1": -3.8227178129, + "a2": 3.8416395351, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 1.5, + "type": "IdealGasHelmholtzLogTau" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 3, + 7, + 2, + 5, + 1, + 4, + 3, + 4 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 2, + 2, + 3, + 3 + ], + "n": [ + 0.83115, + -2.3553, + 0.53904, + 0.014382, + 0.066309, + 0.00019649, + 0.14996, + -0.035319, + -0.15929, + -0.027521, + -0.023305, + 0.0086941 + ], + "t": [ + 0.25, + 1.125, + 1.5, + 1.375, + 0.25, + 0.875, + 0.625, + 1.75, + 3.625, + 3.625, + 14.5, + 12 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "MD4M" + }, + "molarweight": 458.99328, + "tc": 653.2, + "rhoc": 570, + "ideal_gas": [ + { + "a1": 88.10187245449355, + "a2": -39.55376118918867, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3.0, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 97.16, + 69.73, + 38.43 + ], + "t": [ + 0.9338640538885487, + 3.7966932026944273, + 9.797917942437232 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 3, + 1, + 3, + 2, + 2, + 7 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 1, + 2, + 1 + ], + "n": [ + 0.053362183, + 2.8527871, + -3.8108356, + -0.95254215, + 0.44739021, + -2.5194015, + -1.2945338, + 0.43538523, + -0.92015738, + -0.054299195 + ], + "t": [ + 1.0, + 0.3, + 0.68, + 0.913, + 0.434, + 2.33, + 2.7, + 0.61, + 2.12, + 1.121 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 0.526, + 0.72, + 0.056, + 1.3, + 700.0 + ], + "d": [ + 1, + 3, + 2, + 2, + 1 + ], + "epsilon": [ + 0.977, + 0.65, + 1.06, + 0.659, + 0.92 + ], + "eta": [ + 0.81, + 0.892, + 0.82, + 0.847, + 17.3 + ], + "gamma": [ + 1.34, + 1.19, + 1.68, + 0.86, + 1.108 + ], + "n": [ + 4.6112643, + -0.7391977, + -0.14001997, + -1.8085327, + -0.58630821 + ], + "t": [ + 1.13, + 2.55, + 2.59, + 1.07, + 0.7 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "R134a" + }, + "molarweight": 102.032, + "tc": 374.18, + "rhoc": 4978.830171000001, + "ideal_gas": [ + { + "a1": -1.019535, + "a2": 9.047135, + "type": "IdealGasHelmholtzLead" + }, + { + "a": -1.629789, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + -9.723916, + -3.92717 + ], + "t": [ + -0.5, + -0.75 + ], + "type": "IdealGasHelmholtzPower" + } + ], + "residual": [ + { + "d": [ + 2, + 1, + 3, + 6, + 6, + 1, + 1, + 2, + 5, + 2, + 2, + 4, + 1, + 4, + 1, + 2, + 4, + 1, + 5, + 3, + 10 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 1, + 2, + 2, + 2, + 2, + 2, + 2, + 3, + 3, + 3, + 4 + ], + "n": [ + 0.05586817, + 0.498223, + 0.02458698, + 0.0008570145, + 0.0004788584, + -1.800808, + 0.2671641, + -0.04781652, + 0.01423987, + 0.3324062, + -0.007485907, + 0.0001017263, + -0.5184567, + -0.08692288, + 0.2057144, + -0.005000457, + 0.0004603262, + -0.003497836, + 0.006995038, + -0.01452184, + -0.0001285458 + ], + "t": [ + -0.5, + 0, + 0, + 0, + 1.5, + 1.5, + 2, + 2, + 1, + 3, + 5, + 1, + 5, + 5, + 6, + 10, + 10, + 10, + 18, + 22, + 50 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "n-Octane" + }, + "molarweight": 114.229, + "tc": 568.74, + "rhoc": 2031, + "ideal_gas": [ + { + "a1": 16.93282558002394, + "a2": -4.06060393716559, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 17.47, + 33.25, + 15.63 + ], + "t": [ + 0.6681436157119246, + 3.031262088124626, + 6.8238562436262615 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 3, + 1, + 3, + 2, + 2, + 7 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 1, + 2, + 1 + ], + "n": [ + 0.042240369, + 1.4800888, + -2.0975357, + -0.72303256, + 0.26084383, + -1.6713762, + -1.3023632, + 0.67710461, + -1.1644509, + -0.030939987 + ], + "t": [ + 1.0, + 0.243, + 0.856, + 1.07, + 0.52, + 2.3, + 2.55, + 1.075, + 2.24, + 0.951 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 1.52, + 998.0, + 1.57, + 1.44 + ], + "d": [ + 1, + 1, + 3, + 2 + ], + "epsilon": [ + 0.989, + 0.986, + 0.532, + 1.16 + ], + "eta": [ + 0.985, + 13.6, + 1.03, + 1.084 + ], + "gamma": [ + 1.448, + 1.08, + 1.185, + 1.3 + ], + "n": [ + 3.1437871, + -0.011637891, + -0.95649696, + -0.36897912 + ], + "t": [ + 0.59, + 0.917, + 1.05, + 1.634 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "R142b" + }, + "molarweight": 100.49503, + "tc": 410.26, + "rhoc": 4438, + "ideal_gas": [ + { + "a1": -12.6016527149, + "a2": 8.3160183265, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 5.0385, + 6.8356, + 4.0591, + 2.8136 + ], + "t": [ + 1.152927411885146, + 3.061473212109394, + 6.086384244137864, + 16.67235411690148 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 3, + 7, + 1, + 2, + 5, + 1, + 1, + 4, + 2 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 1, + 2, + 2, + 2, + 3 + ], + "n": [ + 1.0038, + -2.7662, + 0.42921, + 0.081363, + 0.00024174, + 0.48246, + 0.75542, + -0.00743, + -0.4146, + -0.016558, + -0.10644, + -0.021704 + ], + "t": [ + 0.25, + 1.25, + 1.5, + 0.25, + 0.875, + 2.375, + 2, + 2.125, + 3.5, + 6.5, + 4.75, + 12.5 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "R1234yf" + }, + "molarweight": 114.04159279999999, + "tc": 367.85, + "rhoc": 4170, + "ideal_gas": [ + { + "a1": -12.837928, + "a2": 8.042605, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 4.944, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 7.549, + 1.537, + 2.03, + 7.455 + ], + "t": [ + 1.951882560826424, + 2.384123963572108, + 12.13809976892755, + 4.770966426532554 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 3, + 1, + 3, + 2, + 2, + 7 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 1, + 2, + 1 + ], + "n": [ + 0.04592563, + 1.546958, + -2.355237, + -0.4827835, + 0.1758022, + -1.210006, + -0.6177084, + 0.6805262, + -0.6968555, + -0.02695779 + ], + "t": [ + 1, + 0.32, + 0.929, + 0.94, + 0.38, + 2.28, + 1.76, + 0.97, + 2.44, + 1.05 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 1.42, + 2.31, + 0.89, + 80, + 108 + ], + "d": [ + 1, + 1, + 3, + 3, + 2 + ], + "epsilon": [ + 0.712, + 0.91, + 0.677, + 0.718, + 1.64 + ], + "eta": [ + 1.02, + 1.336, + 1.055, + 5.84, + 16.2 + ], + "gamma": [ + 1.13, + 0.67, + 0.46, + 1.28, + 1.2 + ], + "n": [ + 1.389966, + -0.4777136, + -0.1975184, + -1.147646, + 0.0003428541 + ], + "t": [ + 1.4, + 3, + 3.5, + 1, + 3.5 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "n-Pentane" + }, + "molarweight": 72.14878, + "tc": 469.7, + "rhoc": 3210, + "ideal_gas": [ + { + "a1": 8.509252832282648, + "a2": 0.06430584062033375, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 6.618, + 15.97, + 15.29 + ], + "t": [ + 0.3278688524590164, + 2.8188205237385566, + 5.607834788162657 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 3, + 1, + 1, + 3, + 2, + 2, + 7 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 2, + 3, + 2, + 1, + 2, + 1 + ], + "n": [ + 0.042952795, + 2.4923999, + -2.603872, + -0.83829913, + 0.19223378, + -3.0778196, + -0.000324816, + -1.6781976, + 0.6416425, + -1.7300934, + -0.017585046 + ], + "t": [ + 1.0, + 0.367, + 0.704, + 1.04, + 0.494, + 1.34, + 0.688, + 1.688, + 0.88, + 1.357, + 1.021 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 0.583, + 31.6, + 0.52, + 0.654, + 0.75 + ], + "d": [ + 1, + 1, + 3, + 2, + 2 + ], + "epsilon": [ + 0.927, + 0.968, + 0.735, + 1.196, + 0.617 + ], + "eta": [ + 1.01, + 4.77, + 1.13, + 1.08, + 1.12 + ], + "gamma": [ + 1.06, + 1.37, + 1.09, + 1.19, + 0.83 + ], + "n": [ + 4.5708883, + -0.0758188, + -0.62122633, + -0.42413043, + -2.0418443 + ], + "t": [ + 0.979, + 2.966, + 1.35, + 0.664, + 0.937 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "Water" + }, + "molarweight": 18.015268000000003, + "tc": 647.096, + "rhoc": 17873.72799560906, + "ideal_gas": [ + { + "a1": -8.3204464837497, + "a2": 6.6832105275932, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3.00632, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 0.012436, + 0.97315, + 1.2795, + 0.96956, + 0.24873 + ], + "t": [ + 1.28728967, + 3.53734222, + 7.74073708, + 9.24437796, + 27.5075105 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 2, + 3, + 4, + 1, + 1, + 1, + 2, + 2, + 3, + 4, + 4, + 5, + 7, + 9, + 10, + 11, + 13, + 15, + 1, + 2, + 2, + 2, + 3, + 4, + 4, + 4, + 5, + 6, + 6, + 7, + 9, + 9, + 9, + 9, + 9, + 10, + 10, + 12, + 3, + 4, + 4, + 5, + 14, + 3, + 6, + 6, + 6 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 3, + 3, + 3, + 3, + 4, + 6, + 6, + 6, + 6 + ], + "n": [ + 0.012533547935523, + 7.8957634722828, + -8.7803203303561, + 0.31802509345418, + -0.26145533859358, + -0.0078199751687981, + 0.0088089493102134, + -0.66856572307965, + 0.20433810950965, + -6.6212605039687e-05, + -0.19232721156002, + -0.25709043003438, + 0.16074868486251, + -0.040092828925807, + 3.9343422603254e-07, + -7.5941377088144e-06, + 0.00056250979351888, + -1.5608652257135e-05, + 1.1537996422951e-09, + 3.6582165144204e-07, + -1.3251180074668e-12, + -6.2639586912454e-10, + -0.10793600908932, + 0.017611491008752, + 0.22132295167546, + -0.40247669763528, + 0.58083399985759, + 0.0049969146990806, + -0.031358700712549, + -0.74315929710341, + 0.4780732991548, + 0.020527940895948, + -0.13636435110343, + 0.014180634400617, + 0.0083326504880713, + -0.029052336009585, + 0.038615085574206, + -0.020393486513704, + -0.0016554050063734, + 0.0019955571979541, + 0.00015870308324157, + -1.638856834253e-05, + 0.043613615723811, + 0.034994005463765, + -0.076788197844621, + 0.022446277332006, + -6.2689710414685e-05, + -5.5711118565645e-10, + -0.19905718354408, + 0.31777497330738, + -0.11841182425981 + ], + "t": [ + -0.5, + 0.875, + 1, + 0.5, + 0.75, + 0.375, + 1, + 4, + 6, + 12, + 1, + 5, + 4, + 2, + 13, + 9, + 3, + 4, + 11, + 4, + 13, + 1, + 7, + 1, + 9, + 10, + 10, + 3, + 7, + 10, + 10, + 6, + 10, + 10, + 1, + 2, + 3, + 4, + 8, + 6, + 9, + 8, + 16, + 22, + 23, + 23, + 10, + 50, + 44, + 46, + 50 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 150, + 150, + 250 + ], + "d": [ + 3, + 3, + 3 + ], + "epsilon": [ + 1, + 1, + 1 + ], + "eta": [ + 20, + 20, + 20 + ], + "gamma": [ + 1.21, + 1.21, + 1.25 + ], + "n": [ + -31.306260323435, + 31.546140237781, + -2521.3154341695 + ], + "t": [ + 0, + 1, + 4 + ], + "type": "ResidualHelmholtzGaussian" + }, + { + "A": [ + 0.32, + 0.32 + ], + "B": [ + 0.2, + 0.2 + ], + "C": [ + 28, + 32 + ], + "D": [ + 700, + 800 + ], + "a": [ + 3.5, + 3.5 + ], + "b": [ + 0.85, + 0.95 + ], + "beta": [ + 0.3, + 0.3 + ], + "n": [ + -0.14874640856724, + 0.31806110878444 + ], + "type": "ResidualHelmholtzNonAnalytic" + } + ] + }, + { + "identifier": { + "name": "R32" + }, + "molarweight": 52.024, + "tc": 351.255, + "rhoc": 8150.084599999999, + "ideal_gas": [ + { + "a1": -8.258096, + "a2": 6.353098, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3.004486, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 1.160761, + 2.645151, + 5.794987, + 1.129475 + ], + "t": [ + 2.2718538, + 11.914421, + 5.1415638, + 32.768217 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 1, + 2, + 5, + 1, + 1, + 3, + 8, + 4, + 4, + 4, + 8, + 3, + 5, + 1, + 1, + 3, + 1, + 2, + 3 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 4, + 3, + 1, + 4, + 1, + 2, + 2, + 1, + 1, + 1, + 1 + ], + "n": [ + 1.046634, + -0.5451165, + -0.002448595, + -0.04877002, + 0.03520158, + 0.00162275, + 2.377225e-05, + 0.029149, + 0.003386203, + -0.004202444, + 0.0004782025, + -0.005504323, + -0.02418396, + 0.4209034, + -0.4616537, + -1.200513, + -2.59155, + -1.400145, + 0.8263017 + ], + "t": [ + 0.25, + 1, + -0.25, + -1, + 2, + 2, + 0.75, + 0.25, + 18, + 26, + -1, + 25, + 1.75, + 4, + 5, + 1, + 1.5, + 1, + 0.5 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "n-Undecane" + }, + "molarweight": 156.30826000000002, + "tc": 638.8, + "rhoc": 1514.916863638556, + "ideal_gas": [ + { + "a1": 0, + "a2": 0, + "type": "IdealGasHelmholtzLead" + }, + { + "a": -1, + "type": "IdealGasHelmholtzLogTau" + }, + { + "T0": 298.15, + "Tc": 638.8, + "c": [ + -1158848, + 20321.8, + -119.4274, + 0.4284215, + -0.0004157728, + 1.61828e-07 + ], + "t": [ + -2, + -1, + 0, + 1, + 2, + 3 + ], + "type": "IdealGasHelmholtzCP0PolyT" + }, + { + "a1": 9.44957570130074, + "a2": -2.12108576273657, + "reference": "NBP", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 3, + 7, + 2, + 1, + 1, + 2, + 5, + 1, + 1, + 4, + 2 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 1, + 1, + 2, + 2, + 2, + 3 + ], + "n": [ + -0.66172706, + 1.3375396, + -2.5608399, + 0.1067891, + 0.00028873614, + 0.049587209, + 5.5407101e-08, + 0.99754712, + 1.5774025, + 0.0013108354, + -0.59326961, + -0.093001876, + -0.17960228, + -0.022560853 + ], + "t": [ + 1.5, + 0.25, + 1.25, + 0.25, + 0.875, + 1.375, + 0, + 2.375, + 2, + 2.125, + 3.5, + 6.5, + 4.75, + 12.5 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "Ammonia" + }, + "molarweight": 17.03052, + "tc": 405.56, + "rhoc": 13696, + "ideal_gas": [ + { + "a1": -6.59406093943886, + "a2": 5.60101151987913, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 2.224, + 3.148, + 0.9579 + ], + "t": [ + 4.0585856593352405, + 9.776605187888352, + 17.829667620080876 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 3, + 3, + 2, + 3 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 1 + ], + "n": [ + 0.006132232, + 1.7395866, + -2.2261792, + -0.30127553, + 0.08967023, + -0.076387037, + -0.84063963, + -0.27026327 + ], + "t": [ + 1.0, + 0.382, + 1.0, + 1.0, + 0.677, + 2.915, + 3.51, + 1.063 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 1.708, + 1.4865, + 2.0915, + 2.43, + 0.488, + 1.1, + 0.85, + 1.14, + 945.64, + 993.85 + ], + "d": [ + 1, + 1, + 1, + 2, + 2, + 1, + 3, + 3, + 1, + 1 + ], + "epsilon": [ + -0.0726, + -0.1274, + 0.7527, + 0.57, + 2.2, + -0.243, + 2.96, + 3.02, + 0.9574, + 0.9576 + ], + "eta": [ + 0.42776, + 0.6424, + 0.8175, + 0.7995, + 0.91, + 0.3574, + 1.21, + 4.14, + 22.56, + 22.68 + ], + "gamma": [ + 1.036, + 1.2777, + 1.083, + 1.2906, + 0.928, + 0.934, + 0.919, + 1.852, + 1.05897, + 1.05277 + ], + "n": [ + 6.212578, + -5.7844357, + 2.4817542, + -2.3739168, + 0.01493697, + -3.7749264, + 0.0006254348, + -1.7359e-05, + -0.13462033, + 0.07749072839 + ], + "t": [ + 0.655, + 1.3, + 3.1, + 1.4395, + 1.623, + 0.643, + 1.13, + 4.5, + 1.0, + 4.0 + ], + "type": "ResidualHelmholtzGaussian" + }, + { + "b": [ + 1.244, + 0.6826 + ], + "beta": [ + 0.3696, + 0.2962 + ], + "d": [ + 1, + 1 + ], + "epsilon": [ + 0.4478, + 0.44689 + ], + "eta": [ + -2.8452, + -2.8342 + ], + "gamma": [ + 1.108, + 1.313 + ], + "n": [ + -1.6909858, + 0.93739074 + ], + "t": [ + 4.3315, + 4.015 + ], + "type": "ResidualHelmholtzGaoB" + } + ] + }, + { + "identifier": { + "name": "R114" + }, + "molarweight": 170.921, + "tc": 418.83, + "rhoc": 3393.2, + "ideal_gas": [ + { + "a1": 0, + "a2": 0, + "type": "IdealGasHelmholtzLead" + }, + { + "a": -1, + "type": "IdealGasHelmholtzLogTau" + }, + { + "T0": 298.15, + "Tc": 418.83, + "c": [ + 2.007414931364566, + 0.06662223065231744, + -0.0001211907268430731, + 1.385112968303604e-07, + -7.290244178478347e-11 + ], + "t": [ + 0, + 1, + 2, + 3, + 4 + ], + "type": "IdealGasHelmholtzCP0PolyT" + }, + { + "a1": -28.2691959611666, + "a2": 17.4464013989786, + "reference": "IIR", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 1, + 1, + 2, + 2, + 2, + 3, + 3, + 4, + 4, + 5, + 0, + 0, + 0 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0 + ], + "n": [ + 1.07938940032879, + -1.99243731009857, + -0.155135220175231, + -0.121465858429101, + -0.0165038674558161, + -0.186916017480622, + 0.308074956770949, + 0.115861545567346, + 0.027635877981389, + 0.108043424159349, + 0.0460684822539207, + -0.174822007470687, + 0.0317531741331376, + -0.340776521025164, + 0.323001398918284, + -0.0424950543505197 + ], + "t": [ + 0, + 1, + 2, + 3, + 4, + 0, + 1, + 2, + 0, + 1, + 0, + 1, + 1, + 3, + 4, + 5 + ], + "type": "ResidualHelmholtzPower" + }, + { + "d": [ + 2, + 2, + 2, + 0, + 0, + 0 + ], + "g": [ + 1.21104, + 1.21104, + 1.21104, + 1.21104, + 1.21104, + 1.21104 + ], + "l": [ + 2, + 2, + 2, + 2, + 2, + 2 + ], + "n": [ + -1.66940287525002, + 4.08693538568874, + -2.4173923391137, + 0.340776521025164, + -0.323001398918284, + 0.0424950543505197 + ], + "t": [ + 3, + 4, + 5, + 3, + 4, + 5 + ], + "type": "ResidualHelmholtzExponential" + } + ] + }, + { + "identifier": { + "name": "R40" + }, + "molarweight": 50.48752, + "tc": 416.3, + "rhoc": 7194.233, + "ideal_gas": [ + { + "a1": 7.499423, + "a2": -2.997533, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 2.92518, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + -0.060842, + -0.11525, + 0.010843 + ], + "t": [ + -1, + -2, + -3 + ], + "type": "IdealGasHelmholtzPower" + }, + { + "n": [ + 3.764997 + ], + "t": [ + 3.7101 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + }, + { + "a1": -11.381492873964438, + "a2": 6.881516818987834, + "reference": "NBP", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 3, + 3, + 5, + 1, + 1, + 2, + 5, + 1, + 3, + 4, + 5, + 2 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 1, + 1, + 2, + 2, + 2, + 2, + 3 + ], + "n": [ + 0.274572058, + 0.0104235924, + -1.2572771, + 0.00225609199, + -0.0331830421, + 0.0918440878, + 0.00261059608, + -0.0948880966, + -0.0843634836, + 0.22626366, + -0.047076594, + -0.196610405, + -0.0204318929, + -0.0692145009, + 0.0148974844, + -0.00642544485 + ], + "t": [ + -0.75, + -0.25, + 1.25, + 0.75, + -1, + -0.375, + 1.25, + 2.375, + 3.0, + 2.625, + 1.875, + 4.5, + 5.75, + 5.375, + 2.75, + 14.5 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "R41" + }, + "molarweight": 34.03291999999999, + "tc": 317.28, + "rhoc": 9300, + "ideal_gas": [ + { + "a1": -4.867644116, + "a2": 4.2527951258, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + -0.0268688568 + ], + "t": [ + -1 + ], + "type": "IdealGasHelmholtzPower" + }, + { + "n": [ + 5.6936, + 2.9351 + ], + "t": [ + 5.802445789208271, + 13.33837619768028 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + }, + { + "a1": 0.00152259725820867, + "a2": -0.00354958910457479, + "reference": "IIR", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 3, + 7, + 1, + 2, + 5, + 1, + 1, + 4, + 2 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 1, + 2, + 2, + 2, + 3 + ], + "n": [ + 0.85316, + -2.6366, + 0.69129, + 0.054681, + 0.00012796, + -0.37093, + 0.3392, + -0.0017413, + -0.095417, + -0.078852, + -0.030729, + -0.011497 + ], + "t": [ + 0.25, + 1.25, + 1.5, + 0.25, + 0.875, + 2.375, + 2, + 2.125, + 3.5, + 6.5, + 4.75, + 12.5 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "R218" + }, + "molarweight": 188.01933000000002, + "tc": 345.02, + "rhoc": 3340.000000000001, + "ideal_gas": [ + { + "a1": -15.6587335175, + "a2": 11.4531412796, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 7.2198, + 7.2692, + 11.599 + ], + "t": [ + 0.9448727609993625, + 1.724537707958959, + 4.315691843951075 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 3, + 7, + 1, + 2, + 5, + 1, + 1, + 4, + 2 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 1, + 2, + 2, + 2, + 3 + ], + "n": [ + 1.327, + -3.8433, + 0.922, + 0.1136, + 0.00036195, + 1.1001, + 1.1896, + -0.025147, + -0.65923, + -0.027969, + -0.1833, + -0.02163 + ], + "t": [ + 0.25, + 1.25, + 1.5, + 0.25, + 0.875, + 2.375, + 2, + 2.125, + 3.5, + 6.5, + 4.75, + 12.5 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "Methanol" + }, + "molarweight": 32.04216, + "tc": 513.38, + "rhoc": 8785.17, + "ideal_gas": [ + { + "a1": 0.0, + "a2": 0.0, + "type": "IdealGasHelmholtzLead" + }, + { + "a": -1, + "type": "IdealGasHelmholtzLogTau" + }, + { + "R": 8.31448, + "T0": 298.15, + "Tc": 513.38, + "c": [ + 3.9007912 + ], + "t": [ + 0.0 + ], + "type": "IdealGasHelmholtzCP0PolyT" + }, + { + "R": 8.31448, + "T0": 298.15, + "Tcrit": 513.38, + "n": [ + 10.992677, + 18.33683, + -16.366004, + -6.2332348, + 2.8035363, + 1.0778099, + 0.96965697 + ], + "type": "IdealGasHelmholtzPlanckEinsteinFunctionT", + "v": [ + 2115.01542, + 1676.18569, + 1935.16717, + 1504.97016, + 4222.83691, + 5296.17127, + 273.36934 + ] + }, + { + "a1": -6.204166753747667, + "a2": 7.746973464311607, + "reference": "NBP", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 1, + 2, + 2, + 2, + 2, + 2, + 3, + 3, + 3, + 4, + 4, + 5, + 6, + 7, + 1, + 1, + 1, + 1, + 2, + 2, + 2, + 2, + 3, + 4, + 5, + 5, + 5, + 5, + 6, + 9, + 6, + 6, + 4 + ], + "g": [ + 0.0, + 0.0, + 0.0, + 0.0, + 0.0, + 0.0, + 0.0, + 0.0, + 0.0, + 0.0, + 0.0, + 0.0, + 0.0, + 0.0, + 0.0, + 0.0, + 0.0, + 1.01733510223052, + 1.01733510223052, + 1.01733510223052, + 1.01733510223052, + 1.01733510223052, + 1.01733510223052, + 1.01733510223052, + 1.01733510223052, + 1.01733510223052, + 1.01733510223052, + 1.01733510223052, + 1.01733510223052, + 1.01733510223052, + 1.01733510223052, + 1.01733510223052, + 1.01733510223052, + 1.03497071023039, + 1.03497071023039, + 1.05291203329783 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 4, + 4, + 6 + ], + "n": [ + -2.80062505988, + 12.5636372418, + -13.0310563173, + 3.2659313406, + -4.11425343805, + 3.46397741254, + -0.083644396759, + -0.369240098923, + 0.00313180842152, + 0.603201474111, + -0.231158593638, + 0.106114844945, + -0.0792228164995, + -4.22419150975e-05, + 0.00758196739214, + -2.44617434701e-05, + 1.15080328802e-06, + -12.5099747447, + 27.0392835391, + -21.2070717086, + 6.3279947227, + 14.3687921636, + -28.7450766617, + 18.5397216068, + -3.88720372879, + -4.16602487963, + 5.29665875982, + 0.509360272812, + -3.30257604839, + -0.311045210826, + 0.273460830583, + 0.518916583979, + -0.00227570803104, + 0.0211658196182, + -0.0114335123221, + 0.00249860798459 + ], + "t": [ + 0, + 1, + 2, + 3, + 1, + 2, + 3, + 4, + 6, + 0, + 3, + 4, + 0, + 7, + 1, + 6, + 7, + 1, + 2, + 3, + 4, + 1, + 2, + 3, + 5, + 1, + 2, + 1, + 2, + 4, + 5, + 2, + 5, + 9, + 14, + 19 + ], + "type": "ResidualHelmholtzExponential" + }, + { + "d": [ + 1, + 1, + 1, + 1, + 1, + 3, + 3, + 3 + ], + "gd": [ + 4.06934040892209, + 8.20892015621185, + 9.15601592007471, + 83.8326275286616, + 16.2773616356884, + 27.705105527215, + 16.2773616356884, + 264.95250181898 + ], + "gt": [ + -3.8940745646517, + -3.8940745646517, + -3.8940745646517, + -3.8940745646517, + -3.8940745646517, + -23.0649031906293, + -23.0649031906293, + -23.0649031906293 + ], + "ld": [ + 2, + 3, + 2, + 4, + 2, + 3, + 2, + 4 + ], + "lt": [ + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 1 + ], + "n": [ + -0.02030821799675877, + 0.0011863332818003462, + -0.0011009660194048337, + 0.00044523795353053076, + -0.00170439564391521, + 3.3394928748983205e-11, + -9.561349210975947e-11, + 1.5831281419735226e-11 + ], + "t": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0 + ], + "type": "ResidualHelmholtzDoubleExponential" + } + ] + }, + { + "identifier": { + "name": "CycloPropane" + }, + "molarweight": 42.081, + "tc": 398.3, + "rhoc": 6142.9149, + "ideal_gas": [ + { + "a1": 0, + "a2": 0, + "type": "IdealGasHelmholtzLead" + }, + { + "a": -1, + "type": "IdealGasHelmholtzLogTau" + }, + { + "T0": 298.15, + "Tc": 398.3, + "c": [ + 6.378038040672545, + -0.04582023302189515, + 0.0002558503477107775, + -3.908517142596848e-07, + 2.051746651955177e-10 + ], + "t": [ + 0, + 1, + 2, + 3, + 4 + ], + "type": "IdealGasHelmholtzCP0PolyT" + }, + { + "a1": -10.9358280454636, + "a2": 8.75156673092286, + "reference": "IIR", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 1, + 1, + 2, + 2, + 2, + 3, + 3, + 4, + 4, + 5, + 0, + 0, + 0, + 2, + 2, + 2, + 0, + 0, + 0 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 2, + 2, + 2, + 2 + ], + "n": [ + -1.15634007067133, + 2.52574627508968, + -2.82266128097357, + 0.283576801605235, + -0.0842720496332253, + 0.931088565988454, + -1.0529683988751, + 0.432021581602768, + -0.251108864340636, + 0.127725892482498, + 0.0483622335785703, + -0.0116474078333994, + 0.00033400656553506, + -1.37016097592368, + 2.12444673007915, + -0.578908942731662, + 0.304945770506538, + -0.184276165170077, + -0.292111460404481, + 1.37016097592368, + -2.12444673007915, + 0.578908942731662 + ], + "t": [ + 0, + 1, + 2, + 3, + 4, + 0, + 1, + 2, + 0, + 1, + 0, + 1, + 1, + 3, + 4, + 5, + 3, + 4, + 5, + 3, + 4, + 5 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "1-Butene" + }, + "molarweight": 56.10631999999999, + "tc": 419.29, + "rhoc": 4240, + "ideal_gas": [ + { + "a1": -0.00101126, + "a2": 2.3869174, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 2.9197, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 2.9406, + 6.5395, + 14.535, + 5.8971 + ], + "t": [ + 0.6534856543203987, + 2.268119917002552, + 5.072861265472584, + 13.71842877244866 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 3, + 7, + 2, + 5, + 1, + 4, + 3, + 4 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 2, + 2, + 3, + 3 + ], + "n": [ + 0.78084, + -2.8258, + 0.99403, + 0.017951, + 0.088889, + 0.00024673, + 0.22846, + -0.074009, + -0.22913, + -0.062334, + -0.025385, + 0.01104 + ], + "t": [ + 0.12, + 1.3, + 1.74, + 2.1, + 0.28, + 0.69, + 0.75, + 2, + 4.4, + 4.7, + 15, + 14 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "HydrogenSulfide" + }, + "molarweight": 34.08088, + "tc": 373.1, + "rhoc": 10190, + "ideal_gas": [ + { + "a1": -4.0740770957, + "a2": 3.7632137341, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + -0.002753352822675789 + ], + "t": [ + -1.5 + ], + "type": "IdealGasHelmholtzPower" + }, + { + "n": [ + 1.1364, + 1.9721 + ], + "t": [ + 4.886089520235862, + 10.62717770034843 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 3, + 7, + 2, + 5, + 1, + 4, + 3, + 4 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 2, + 2, + 3, + 3 + ], + "n": [ + 0.87641, + -2.0367, + 0.21634, + -0.050199, + 0.066994, + 0.00019076, + 0.20227, + -0.0045348, + -0.2223, + -0.034714, + -0.014885, + 0.0074154 + ], + "t": [ + 0.25, + 1.125, + 1.5, + 1.375, + 0.25, + 0.875, + 0.625, + 1.75, + 3.625, + 3.625, + 14.5, + 12 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "R227EA" + }, + "molarweight": 170.02886, + "tc": 374.9, + "rhoc": 3495, + "ideal_gas": [ + { + "a1": -15.8291124137, + "a2": 11.0879509962, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 11.43, + 12.83 + ], + "t": [ + 1.07495332088557, + 3.809015737530008 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 2, + 2, + 4, + 1, + 3, + 6, + 6, + 2, + 3 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 1, + 1, + 2, + 2 + ], + "n": [ + 2.024341, + -2.60593, + 0.4957216, + -0.824082, + 0.06543703, + -1.02461, + 0.6247065, + 0.2997521, + -0.353917, + -1.232043, + -0.8824483 + ], + "t": [ + 0.34, + 0.77, + 0.36, + 0.9, + 1, + 2.82, + 2.1, + 0.9, + 1.13, + 3.8, + 2.75 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 1.72, + 5.2, + 2.31, + 1.02, + 5.63, + 50.9, + 1.56 + ], + "d": [ + 1, + 2, + 1, + 1, + 4, + 2, + 1 + ], + "epsilon": [ + 1.13, + 0.71, + 1.2, + 1.7, + 0.546, + 0.896, + 0.747 + ], + "eta": [ + 0.83, + 2.19, + 2.44, + 3.65, + 8.88, + 8.23, + 2.01 + ], + "gamma": [ + 0.414, + 1.051, + 1.226, + 1.7, + 0.904, + 1.42, + 0.926 + ], + "n": [ + 0.1349661, + -0.2662928, + 0.1764733, + 0.01536163, + -0.004667185, + -11.70854, + 0.9114512 + ], + "t": [ + 1.5, + 2.5, + 2.5, + 5.4, + 4, + 1, + 3.5 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "SulfurDioxide" + }, + "molarweight": 64.0638, + "tc": 430.64, + "rhoc": 8078, + "ideal_gas": [ + { + "a1": -4.5414235721, + "a2": 4.4732289572, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + -0.0159272204 + ], + "t": [ + -1 + ], + "type": "IdealGasHelmholtzPower" + }, + { + "n": [ + 1.0875, + 1.916 + ], + "t": [ + 1.8182240386401636, + 4.328441389559726 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 3, + 1, + 3, + 2, + 2, + 7 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 1, + 2, + 1 + ], + "n": [ + 0.01744413, + 1.814878, + -2.246338, + -0.4602906, + 0.1097049, + -0.9485769, + -0.8751541, + 0.4228777, + -0.4174962, + -0.002903451 + ], + "t": [ + 1, + 0.45, + 0.9994, + 1, + 0.45, + 2.907, + 2.992, + 0.87, + 3.302, + 1.002 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 0.967, + 2.538, + 2.758, + 1.062, + 1.039, + 0.41 + ], + "d": [ + 1, + 1, + 3, + 2, + 2, + 1 + ], + "epsilon": [ + 0.832, + 0.69, + 0.35, + 0.961, + 0.981, + 0.333 + ], + "eta": [ + 1.061, + 0.945, + 1.741, + 1.139, + 1.644, + 0.647 + ], + "gamma": [ + 1.276, + 0.738, + 0.71, + 0.997, + 1.35, + 0.919 + ], + "n": [ + 1.64041, + -0.4103535, + -0.08316597, + -0.2728126, + -0.1075782, + -0.4348434 + ], + "t": [ + 1.15, + 0.997, + 1.36, + 2.086, + 0.855, + 0.785 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "Propyne" + }, + "molarweight": 40.06000000000001, + "tc": 402.38, + "rhoc": 6113.33, + "ideal_gas": [ + { + "a1": 0, + "a2": 0, + "type": "IdealGasHelmholtzLead" + }, + { + "a": -1, + "type": "IdealGasHelmholtzLogTau" + }, + { + "T0": 298.15, + "Tc": 402.38, + "c": [ + 1.649840044261093, + 0.02333952849909193, + -1.673911795340558e-05, + 6.980952359188388e-09, + -1.29200161168108e-12 + ], + "t": [ + 0, + 1, + 2, + 3, + 4 + ], + "type": "IdealGasHelmholtzCP0PolyT" + }, + { + "a1": -11.004154248087, + "a2": 8.92674898200796, + "reference": "IIR", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 1, + 1, + 2, + 2, + 2, + 3, + 3, + 4, + 4, + 5, + 0, + 0, + 0 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0 + ], + "n": [ + -0.986950667682466, + 4.59528109357232, + -8.86063623531859, + 5.56346955560542, + -1.57450028544218, + -0.15906875357343, + 0.235738270184042, + 0.440755494598713, + 0.196126150614333, + -0.367759650330219, + 0.00792931851007852, + 0.00247509085735293, + 0.00832903610194452, + 1.02590136933231, + -2.20786016506394, + 1.07889905203761 + ], + "t": [ + 0, + 1, + 2, + 3, + 4, + 0, + 1, + 2, + 0, + 1, + 0, + 1, + 1, + 3, + 4, + 5 + ], + "type": "ResidualHelmholtzPower" + }, + { + "d": [ + 2, + 2, + 2, + 0, + 0, + 0 + ], + "g": [ + 1.65533788, + 1.65533788, + 1.65533788, + 1.65533788, + 1.65533788, + 1.65533788 + ], + "l": [ + 2, + 2, + 2, + 2, + 2, + 2 + ], + "n": [ + -3.821884669859, + 8.30345065618981, + -4.4832307260286, + -1.02590136933231, + 2.20786016506394, + -1.07889905203761 + ], + "t": [ + 3, + 4, + 5, + 3, + 4, + 5 + ], + "type": "ResidualHelmholtzExponential" + } + ] + }, + { + "identifier": { + "name": "cis-2-Butene" + }, + "molarweight": 56.10631999999999, + "tc": 435.75, + "rhoc": 4244, + "ideal_gas": [ + { + "a1": 0.2591542, + "a2": 2.4189888, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 2.9687, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 3.2375, + 7.0437, + 11.414, + 7.3722 + ], + "t": [ + 0.5691336775674125, + 2.714859437751004, + 4.800917957544463, + 10.09064830751578 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 3, + 7, + 2, + 5, + 1, + 4, + 3, + 4 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 2, + 2, + 3, + 3 + ], + "n": [ + 0.77827, + -2.8064, + 1.003, + 0.013762, + 0.085514, + 0.00021268, + 0.22962, + -0.072442, + -0.23722, + -0.074071, + -0.026547, + 0.012032 + ], + "t": [ + 0.12, + 1.3, + 1.74, + 2.1, + 0.28, + 0.69, + 0.75, + 2, + 4.4, + 4.7, + 15, + 14 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "n-Decane" + }, + "molarweight": 142.28168, + "tc": 617.7, + "rhoc": 1640, + "ideal_gas": [ + { + "a1": 13.9361966549, + "a2": -10.5265128286, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 18.109, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 25.685, + 28.233, + 12.417, + 10.035 + ], + "t": [ + 1.931358264529707, + 3.46446495062328, + 7.710862878419944, + 17.58458798769629 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 3, + 7, + 2, + 5, + 1, + 4, + 3, + 4 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 2, + 2, + 3, + 3 + ], + "n": [ + 1.0461, + -2.4807, + 0.74372, + -0.52579, + 0.15315, + 0.00032865, + 0.84178, + 0.055424, + -0.73555, + -0.18507, + -0.020775, + 0.012335 + ], + "t": [ + 0.25, + 1.125, + 1.5, + 1.375, + 0.25, + 0.875, + 0.625, + 1.75, + 3.625, + 3.625, + 14.5, + 12 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "Acetone" + }, + "molarweight": 58.07914, + "tc": 508.1, + "rhoc": 4699.999999999999, + "ideal_gas": [ + { + "a1": -9.4883659997, + "a2": 7.1422719708, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 3.7072, + 7.0675, + 11.012 + ], + "t": [ + 0.6101161188742373, + 6.849045463491438, + 3.101751623696123 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + }, + { + "a1": 9.7898709978717, + "a2": -4.41053410795899, + "reference": "NBP", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 3, + 7, + 1, + 2, + 5, + 1, + 1, + 4, + 2 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 1, + 2, + 2, + 2, + 3 + ], + "n": [ + 0.90041, + -2.1267, + -0.083409, + 0.065683, + 0.00016527, + -0.039663, + 0.72085, + 0.0092318, + -0.17217, + -0.14961, + -0.076124, + -0.018166 + ], + "t": [ + 0.25, + 1.25, + 1.5, + 0.25, + 0.875, + 2.375, + 2, + 2.125, + 3.5, + 6.5, + 4.75, + 12.5 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "Propylene" + }, + "molarweight": 42.079739999999994, + "tc": 364.211, + "rhoc": 5457, + "ideal_gas": [ + { + "a1": 4.9916462, + "a2": -0.1709449, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 1.544, + 4.013, + 8.923, + 6.02 + ], + "t": [ + 0.8895942187358427, + 2.671528317376466, + 5.304617378387802, + 11.85301926630442 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + }, + { + "a1": -10.1739741651451, + "a2": 4.53493517654279, + "reference": "IIR", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 2, + 3, + 1, + 1, + 3, + 2, + 2, + 8 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 2, + 2, + 1, + 2, + 1 + ], + "n": [ + 0.04341002, + 1.136592, + -0.8528611, + 0.5216669, + -1.382953, + 0.1214347, + -0.5984662, + -1.391883, + -1.008434, + 0.1961249, + -0.360693, + -0.002407175 + ], + "t": [ + 1, + 0.205, + 0.56, + 0.676, + 1, + 0.5, + 1, + 1.94, + 2, + 1, + 2.66, + 0.83 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 0.77, + 0.83, + 0.607, + 0.4, + 0.66, + 0.07, + 3.1, + 387, + 41 + ], + "d": [ + 1, + 1, + 2, + 3, + 3, + 2, + 1, + 2, + 3 + ], + "epsilon": [ + 0.78, + 0.82, + 1.94, + 0.69, + 1.96, + 1.3, + 0.38, + 0.91, + 0.7 + ], + "eta": [ + 1.07, + 0.66, + 1.2, + 1.12, + 1.47, + 1.93, + 3.3, + 15.4, + 6 + ], + "gamma": [ + 1.21, + 1.08, + 0.83, + 0.56, + 1.22, + 1.81, + 1.54, + 1.12, + 1.4 + ], + "n": [ + 0.7432121, + 0.1475162, + -0.02503391, + -0.2734409, + 0.006378889, + 0.0150294, + -0.03162971, + -0.04107194, + -1.190241 + ], + "t": [ + 1.6, + 2.5, + 3, + 2.5, + 2.72, + 4, + 4, + 1, + 4 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "trans-2-Butene" + }, + "molarweight": 56.10631999999999, + "tc": 428.61, + "rhoc": 4213, + "ideal_gas": [ + { + "a1": 0.5917816, + "a2": 2.1427758, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 2.9988, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 5.3276, + 13.29, + 9.6745, + 0.40087 + ], + "t": [ + 0.8445906535078509, + 3.739996733627307, + 8.700216980471756, + 10.5620494155526 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 3, + 7, + 2, + 5, + 1, + 4, + 3, + 4 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 2, + 2, + 3, + 3 + ], + "n": [ + 0.81107, + -2.8846, + 1.0265, + 0.016591, + 0.086511, + 0.00023256, + 0.22654, + -0.072182, + -0.24849, + -0.071374, + -0.024737, + 0.011843 + ], + "t": [ + 0.12, + 1.3, + 1.74, + 2.1, + 0.28, + 0.69, + 0.75, + 2, + 4.4, + 4.7, + 15, + 14 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "R13" + }, + "molarweight": 104.459, + "tc": 301.88, + "rhoc": 5570.98, + "ideal_gas": [ + { + "a1": 0, + "a2": 0, + "type": "IdealGasHelmholtzLead" + }, + { + "a": -1, + "type": "IdealGasHelmholtzLogTau" + }, + { + "T0": 298.15, + "Tc": 301.88, + "c": [ + 2.4766458, + 0.018074269, + 2.1945535e-05, + -8.5810657e-08, + 6.3199171e-11 + ], + "t": [ + 0, + 1, + 2, + 3, + 4 + ], + "type": "IdealGasHelmholtzCP0PolyT" + }, + { + "a1": -17.2649115260318, + "a2": 13.7187307950669, + "reference": "IIR", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 1, + 1, + 2, + 2, + 2, + 3, + 3, + 4, + 4, + 5, + 0, + 0, + 0 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0 + ], + "n": [ + 0.761143010172, + -1.94465098795, + 0.940938700406, + -1.08107050239, + 0.117501564976, + 0.228305167217, + -0.403338888789, + 0.37558571342, + -0.0617543677315, + 0.170326226881, + 0.0536612457231, + -0.151603010301, + 0.0252033265074, + -0.62834655992, + 0.792797111341, + -0.134038992692 + ], + "t": [ + 0, + 1, + 2, + 3, + 4, + 0, + 1, + 2, + 0, + 1, + 0, + 1, + 1, + 3, + 4, + 5 + ], + "type": "ResidualHelmholtzPower" + }, + { + "d": [ + 2, + 2, + 2, + 0, + 0, + 0 + ], + "g": [ + 0.98230055, + 0.98230055, + 0.98230055, + 0.98230055, + 0.98230055, + 0.98230055 + ], + "l": [ + 2, + 2, + 2, + 2, + 2, + 2 + ], + "n": [ + -0.0399863840975, + 0.436410910529, + -0.448724904991, + 0.62834655992, + -0.792797111341, + 0.134038992692 + ], + "t": [ + 3, + 4, + 5, + 3, + 4, + 5 + ], + "type": "ResidualHelmholtzExponential" + } + ] + }, + { + "identifier": { + "name": "ParaDeuterium" + }, + "molarweight": 4.0282, + "tc": 38.34, + "rhoc": 17230, + "ideal_gas": [ + { + "a1": -2.0683998716, + "a2": 2.4241000701, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 1.5, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 1.28527, + 1.11376, + -2.491, + 6.38763, + 6.17406, + -3.13698, + -3.14254, + -2.29511, + -3.37, + 1.13634, + 0.72512 + ], + "t": [ + 132.1857068335941, + 26.10328638497652, + 6.820552947313511, + 11.40323422013563, + 8.145539906103286, + 9.984350547730829, + 9.30620761606677, + 7.686489306207615, + 17.79864371413667, + 6.416275430359937, + 7.227438706311946 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 3, + 1, + 3, + 2, + 2, + 2, + 1, + 1, + 3, + 2 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 2, + 2, + 2, + 2 + ], + "n": [ + 0.006267958, + 10.53609, + -10.14149, + 0.356061, + 0.1824472, + -1.129638, + -0.0549812, + -0.6791329, + 1.347918, + -0.8657582, + 1.719146, + -1.917977, + 0.1233365, + -0.07936891 + ], + "t": [ + 1, + 0.462, + 0.5584, + 0.627, + 1.201, + 0.309, + 1.314, + 1.1166, + 1.25, + 1.25, + 1.395, + 1.627, + 1, + 2.5 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 0.613, + 0.584, + 0.57, + 1.056, + 1.01, + 1.025, + 1.029 + ], + "d": [ + 1, + 1, + 2, + 3, + 3, + 1, + 3 + ], + "epsilon": [ + 1.46, + 1.7864, + 1.647, + 0.541, + 0.969, + 1.892, + 1.076 + ], + "eta": [ + 0.868, + 0.636, + 0.668, + 0.65, + 0.745, + 0.782, + 0.693 + ], + "gamma": [ + 0.6306, + 0.711, + 0.6446, + 0.8226, + 0.992, + 1.2184, + 1.203 + ], + "n": [ + 1.686617, + -4.240326, + 1.857114, + -0.5903705, + 1.520171, + 2.361373, + -2.297315 + ], + "t": [ + 0.635, + 0.664, + 0.7082, + 2.25, + 1.524, + 0.67, + 0.709 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "MM" + }, + "molarweight": 162.37752, + "tc": 518.7, + "rhoc": 1653, + "ideal_gas": [ + { + "a1": 0, + "a2": 0, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 19.74, + 29.58, + 18.59, + 4.87 + ], + "t": [ + 6.940427993, + 2.699055331, + 0.038557933, + 12.14574899 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + }, + { + "a1": 72.1107541562, + "a2": -10.4314993483, + "reference": "NBP", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 3, + 1, + 3, + 2, + 2, + 7 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 1, + 2, + 1 + ], + "n": [ + 0.05063651, + 8.604724, + -9.179684, + -1.146325, + 0.4878559, + -2.434088, + -1.621326, + 0.6239872, + -2.306057, + -0.05555096 + ], + "t": [ + 1, + 0.346, + 0.46, + 1.01, + 0.59, + 2.6, + 3.33, + 0.75, + 2.95, + 0.93 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 0.4707, + 0.32, + 0.404, + 0.517, + 0.432, + 7.2, + 1.2, + 35.8 + ], + "d": [ + 1, + 1, + 3, + 3, + 1, + 2, + 3, + 1 + ], + "epsilon": [ + 0.8927, + 0.5957, + 0.559, + 1.056, + 1.3, + 0.106, + 0.181, + 0.525 + ], + "eta": [ + 1.0334, + 1.544, + 1.113, + 1.113, + 1.11, + 7.2, + 1.45, + 4.73 + ], + "gamma": [ + 1.7754, + 0.692, + 1.242, + 0.421, + 0.406, + 0.163, + 0.795, + 0.88 + ], + "n": [ + 9.385015, + -2.493508, + -3.308032, + -0.1885803, + -0.09883865, + 0.111109, + 0.1061928, + -0.01452454 + ], + "t": [ + 1.33, + 1.68, + 1.7, + 3.08, + 5.41, + 1.4, + 1.1, + 5.3 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "Cyclopentane" + }, + "molarweight": 70.1329, + "tc": 511.72, + "rhoc": 3920.000000000001, + "ideal_gas": [ + { + "a1": -0.3946233253, + "a2": 2.4918910143, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3.0, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 1.34, + 13.4, + 17.4, + 6.65 + ], + "t": [ + 0.4494645509262878, + 2.3059485656218244, + 4.299226139294927, + 10.161807238333463 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 3, + 1, + 3, + 2, + 2, + 7 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 1, + 2, + 1 + ], + "n": [ + 0.0630928, + 1.50365, + -2.37099, + -0.484886, + 0.191843, + -0.835582, + -0.435929, + 0.545607, + -0.209741, + -0.0387635 + ], + "t": [ + 1.0, + 0.29, + 0.85, + 1.185, + 0.45, + 2.28, + 1.8, + 1.5, + 2.9, + 0.93 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 0.63, + 2.8, + 0.5, + 0.95, + 0.23 + ], + "d": [ + 1, + 1, + 3, + 3, + 2 + ], + "epsilon": [ + 0.684, + 0.7, + 0.77, + 0.625, + 0.42 + ], + "eta": [ + 0.86, + 0.85, + 0.86, + 1.53, + 5.13 + ], + "gamma": [ + 1.22, + 0.32, + 0.22, + 1.94, + 1.21 + ], + "n": [ + 0.677674, + -0.137043, + -0.0852862, + -0.128085, + -0.00389381 + ], + "t": [ + 1.05, + 4.0, + 2.33, + 1.5, + 1.0 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "MethylOleate" + }, + "molarweight": 296.48794, + "tc": 782, + "rhoc": 812.8499999999999, + "ideal_gas": [ + { + "a1": -1, + "a2": 0, + "type": "IdealGasHelmholtzLead" + }, + { + "a": -1, + "type": "IdealGasHelmholtzLogTau" + }, + { + "T0": 298, + "Tc": 782, + "c": [ + 10.85318466404121 + ], + "t": [ + 0.146118 + ], + "type": "IdealGasHelmholtzCP0PolyT" + }, + { + "n": [ + 28.23955628210667, + 40.38356254011078, + 51.91670619613609 + ], + "t": [ + 0.7845639386189258, + 1.797071611253197, + 3.667212276214834 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + }, + { + "a1": 60.4208015509131, + "a2": -25.9023485195146, + "reference": "NBP", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 3, + 1, + 3, + 2, + 2, + 7 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 1, + 2, + 1 + ], + "n": [ + 0.04596121, + 2.2954, + -3.554366, + -0.2291674, + 0.06854534, + -1.535778, + -0.7334697, + 1.7127, + -1.471394, + -0.01724678 + ], + "t": [ + 1, + 0.34, + 1.14, + 1.4, + 0.6, + 3.3, + 4.1, + 1.9, + 3.8, + 1.3 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 0.9, + 0.65, + 0.75 + ], + "d": [ + 1, + 1, + 3 + ], + "epsilon": [ + 0.79, + 0.9, + 0.76 + ], + "eta": [ + 1.1, + 1.6, + 1.1 + ], + "gamma": [ + 1.14, + 0.65, + 0.77 + ], + "n": [ + 2.11547, + -0.7555374, + -0.4134269 + ], + "t": [ + 3.4, + 3.8, + 4 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "R410A" + }, + "molarweight": 72.5854, + "tc": 344.494, + "rhoc": 6323.999999999999, + "ideal_gas": [ + { + "a1": 36.8871, + "a2": 7.15807, + "type": "IdealGasHelmholtzLead" + }, + { + "a": -1, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + -46.87575 + ], + "t": [ + -0.1 + ], + "type": "IdealGasHelmholtzPower" + }, + { + "n": [ + 2.0623, + 5.9751, + 1.5612 + ], + "t": [ + 2.02326, + 5.00154, + 11.2484 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 5, + 1, + 2, + 3, + 5, + 5, + 5, + 1, + 1, + 4, + 4, + 9, + 2, + 2, + 4, + 5, + 6 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 1, + 1, + 1, + 1, + 2, + 2, + 2, + 2, + 2, + 3, + 3, + 3, + 3, + 3 + ], + "n": [ + 0.987252, + -1.03017, + 1.17666, + -0.138991, + 0.00302373, + -2.53639, + -1.9668, + -0.83048, + 0.172477, + -0.261116, + -0.0745473, + 0.679757, + -0.652431, + 0.0553849, + -0.071097, + -0.000875332, + 0.020076, + -0.0139761, + -0.018511, + 0.0171939, + -0.00482049 + ], + "t": [ + 0.44, + 1.2, + 2.97, + 2.95, + 0.2, + 1.93, + 1.78, + 3, + 0.2, + 0.74, + 3, + 2.1, + 4.3, + 0.25, + 7, + 4.7, + 13, + 16, + 25, + 17, + 7.4 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "IsoButane" + }, + "molarweight": 58.1222, + "tc": 407.81, + "rhoc": 3879.756788283995, + "ideal_gas": [ + { + "a1": 11.60865546, + "a2": -5.29450411, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3.05956619, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 4.94641014, + 4.09475197, + 15.6632824, + 9.73918122 + ], + "t": [ + 0.951277902, + 2.387895885, + 4.346904269, + 10.36885864 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + }, + { + "a1": -17.6081648486994, + "a2": 10.3134499204439, + "reference": "IIR", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 3, + 4, + 4, + 1, + 1, + 2, + 7, + 8, + 8, + 1, + 2, + 3, + 3, + 4, + 5, + 5, + 10, + 2, + 6 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 1, + 1, + 1, + 1, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 3, + 3 + ], + "n": [ + 2.0686820727966, + -3.6400098615204, + 0.51968754427244, + 0.17745845870123, + -0.12361807851599, + 0.045145314010528, + 0.03047647996598, + 0.75508387706302, + -0.85885381015629, + 0.036324009830684, + -0.01954879945055, + -0.004445239290496, + 0.004641076366646, + -0.071444097992825, + -0.080765060030713, + 0.15560460945053, + 0.0020318752160332, + -0.10624883571689, + 0.039807690546305, + 0.016371431292386, + 0.00053212200682628, + -0.0078681561156387, + -0.0030981191888963 + ], + "t": [ + 0.5, + 1, + 1.5, + 0, + 0.5, + 0.5, + 0.75, + 2, + 2.5, + 2.5, + 1.5, + 1, + 1.5, + 4, + 7, + 3, + 7, + 3, + 1, + 6, + 0, + 6, + 13 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 150, + 200 + ], + "d": [ + 1, + 2 + ], + "epsilon": [ + 0.85, + 1 + ], + "eta": [ + 10, + 10 + ], + "gamma": [ + 1.16, + 1.13 + ], + "n": [ + -0.042276036810382, + -0.0053001044558079 + ], + "t": [ + 2, + 0 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "HFE143m" + }, + "molarweight": 100.04, + "tc": 377.921, + "rhoc": 4648.140744, + "ideal_gas": [ + { + "a1": -17.97705674077087, + "a2": 12.92642879298097, + "type": "IdealGasHelmholtzLead" + }, + { + "a": -1, + "type": "IdealGasHelmholtzLogTau" + }, + { + "T0": 273.15, + "Tc": 377.921, + "cp_over_R": 2.449945107759098, + "type": "IdealGasHelmholtzCP0Constant" + }, + { + "T0": 273.15, + "Tc": 377.921, + "c": [ + 0.03509543360059424, + -2.345308276941699e-05, + 5.592658198860973e-09 + ], + "t": [ + 1, + 2, + 3 + ], + "type": "IdealGasHelmholtzCP0PolyT" + }, + { + "a1": 7.64964970449937e-05, + "a2": -8.0498560479886e-05, + "reference": "IIR", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 5, + 1, + 3, + 5, + 7, + 1, + 2, + 2, + 3, + 4, + 2, + 3, + 5 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 1, + 1, + 2, + 2, + 2, + 2, + 2, + 3, + 3, + 3 + ], + "n": [ + 7.7715884, + -8.704257, + -0.28095049, + 0.14540153, + 0.0092291277, + -0.2141651, + 0.099475155, + 0.023247135, + -0.012873573, + -0.057366549, + 0.3650465, + -0.25433763, + -0.090896436, + 0.083503619, + 0.015477603, + -0.016641941, + 0.0052410163 + ], + "t": [ + 0.682, + 0.851, + 1.84, + 1.87, + 0.353, + 3.92, + 1.14, + 0.104, + 1.19, + 6.58, + 6.73, + 7.99, + 7.31, + 7.45, + 16.5, + 24.8, + 10.5 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "Helium" + }, + "molarweight": 4.002602, + "tc": 5.1953, + "rhoc": 17383.7, + "ideal_gas": [ + { + "a1": 0.1871304489697973, + "a2": 0.4848903984696551, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 1.5, + "type": "IdealGasHelmholtzLogTau" + }, + { + "a1": -0.0138816556862182, + "a2": -0.0174381783145519, + "reference": "NBP", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 2, + 3, + 1, + 1, + 3, + 2, + 2, + 1 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 2, + 2, + 1, + 2, + 1 + ], + "n": [ + 0.015559018, + 3.0638932, + -4.2420844, + 0.054418088, + -0.18971904, + 0.087856262, + 2.2833566, + -0.53331595, + -0.53296502, + 0.99444915, + -0.30078896, + -1.6432563 + ], + "t": [ + 1.0, + 0.425, + 0.63, + 0.69, + 1.83, + 0.575, + 0.925, + 1.585, + 1.69, + 1.51, + 2.9, + 0.8 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 0.2471, + 0.0983, + 0.1556, + 2.6782, + 2.7077, + 0.6621, + 0.1775, + 0.4821, + 0.3069, + 0.1758, + 1357.6577 + ], + "d": [ + 2, + 1, + 2, + 1, + 1, + 3, + 2, + 2, + 3, + 2, + 2 + ], + "epsilon": [ + 0.596, + 0.3423, + 0.761, + 0.9747, + 0.5868, + 0.5627, + 2.5346, + 3.6763, + 4.5245, + 5.039, + 0.959 + ], + "eta": [ + 1.5497, + 9.245, + 4.76323, + 6.3826, + 8.7023, + 0.255, + 0.3523, + 0.1492, + 0.05, + 0.1668, + 42.2358 + ], + "gamma": [ + 3.15, + 2.54505, + 1.2513, + 1.9416, + 0.5984, + 2.2282, + 1.606, + 3.815, + 1.61958, + 0.6407, + 1.076 + ], + "n": [ + 0.8029102, + 0.026838669, + 0.04687678, + -0.14832766, + 0.03016211, + -0.019986041, + 0.14283514, + 0.007418269, + -0.22989793, + 0.79224829, + -0.049386338 + ], + "t": [ + 1.26, + 3.51, + 2.785, + 1.0, + 4.22, + 0.83, + 1.575, + 3.447, + 0.73, + 1.634, + 6.13 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "Novec649" + }, + "molarweight": 316.0438, + "tc": 441.81, + "rhoc": 1920, + "ideal_gas": [ + { + "a1": -30.6610503233, + "a2": 6.8305296372, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 29.8, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 29.8 + ], + "t": [ + 4.391027817387565 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 1, + 2, + 2, + 3, + 2, + 1, + 2 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 2, + 2 + ], + "n": [ + 0.05623648, + 2.973616, + -6.12697, + 3.44024, + 1.451737, + -2.837857, + 0.2077767, + 2.168307, + -2.124648, + -1.296704 + ], + "t": [ + 1, + 0.25, + 0.793, + 1.16, + 0.75, + 1.09, + 0.75, + 1.3, + 2.25, + 1.9 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 0.12, + 0.83, + 0.19, + 0.95, + 0.1, + 0.11, + 65 + ], + "d": [ + 1, + 1, + 2, + 2, + 3, + 3, + 1 + ], + "epsilon": [ + 1.16, + 0.793, + 1.13, + 0.527, + 1.19, + 0.83, + 0.82 + ], + "eta": [ + 0.32, + 1.32, + 1.35, + 1.48, + 0.51, + 1.3, + 5.15 + ], + "gamma": [ + 1.1, + 1.04, + 1.15, + 0.9, + 0.8, + 1.2, + 1.19 + ], + "n": [ + -1.010569, + 2.701505, + 0.8167202, + -1.814579, + 0.2075389, + -1.009347, + -0.04848043 + ], + "t": [ + 0.88, + 1.63, + 1.3, + 2, + 1.15, + 1.66, + 1.5 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "MethylStearate" + }, + "molarweight": 298.50381999999996, + "tc": 775, + "rhoc": 794.3, + "ideal_gas": [ + { + "a1": -1, + "a2": 0, + "type": "IdealGasHelmholtzLead" + }, + { + "a": -1, + "type": "IdealGasHelmholtzLogTau" + }, + { + "T0": 298, + "Tc": 775, + "c": [ + 29.72106947981784 + ], + "t": [ + -0.0916606 + ], + "type": "IdealGasHelmholtzCP0PolyT" + }, + { + "n": [ + 33.30818842134534, + 49.19097688945251, + 56.85291862189204 + ], + "t": [ + 0.7176387096774193, + 1.692709677419355, + 3.646077419354839 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + }, + { + "a1": 67.9678895651248, + "a2": -28.5988132374956, + "reference": "NBP", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 3, + 1, + 3, + 2, + 2, + 7 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 1, + 2, + 1 + ], + "n": [ + 0.03959635, + 2.466654, + -3.89595, + -0.1167375, + 0.04127229, + -1.403734, + -0.6465264, + 1.934675, + -1.608124, + -0.01113813 + ], + "t": [ + 1, + 0.3, + 1.25, + 1.65, + 0.8, + 3.1, + 3.4, + 2.3, + 3.8, + 1.2 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 0.9, + 0.65, + 0.75 + ], + "d": [ + 1, + 1, + 3 + ], + "epsilon": [ + 0.79, + 0.9, + 0.76 + ], + "eta": [ + 1.1, + 1.6, + 1.1 + ], + "gamma": [ + 1.14, + 0.65, + 0.77 + ], + "n": [ + 2.125325, + -0.7772671, + -0.4183684 + ], + "t": [ + 3.2, + 3.8, + 3.8 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "R23" + }, + "molarweight": 70.01385, + "tc": 299.293, + "rhoc": 7519.999999999999, + "ideal_gas": [ + { + "a1": -8.31386064, + "a2": 6.55087253, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 2.999, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 2.371, + 3.237, + 2.61, + 0.8274 + ], + "t": [ + 2.485858339486724, + 4.874821663052594, + 7.133477896242144, + 16.4086697650797 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 5, + 1, + 2, + 3, + 5, + 1, + 2, + 2, + 4, + 4, + 4, + 2, + 2 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 1, + 1, + 2, + 2, + 2, + 2, + 2, + 2, + 3, + 4 + ], + "n": [ + 7.041529, + -8.259512, + 0.00805304, + -0.08617615, + 0.00633341, + -0.1863285, + 0.328051, + 0.5191023, + 0.06916144, + -0.005045875, + -0.01744221, + -0.05003972, + 0.04729813, + -0.06164031, + 0.01583585, + -0.00179579, + -0.001099007 + ], + "t": [ + 0.744, + 0.94, + 4.3, + 1.46, + 0.68, + 4.8, + 1.5, + 2.07, + 0.09, + 9.6, + 0.19, + 11.2, + 0.27, + 1.6, + 10.3, + 14, + 15 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "R152A" + }, + "molarweight": 66.051, + "tc": 386.411, + "rhoc": 5571.45, + "ideal_gas": [ + { + "a1": 0, + "a2": 0, + "type": "IdealGasHelmholtzLead" + }, + { + "a": -1, + "type": "IdealGasHelmholtzLogTau" + }, + { + "T0": 298.15, + "Tc": 386.411, + "c": [ + 3.354951, + 0.0109864910678, + 2.50161504325e-05, + -2.78744429549e-08 + ], + "t": [ + 0, + 1, + 2, + 3 + ], + "type": "IdealGasHelmholtzCP0PolyT" + }, + { + "a1": -14.5767531651083, + "a2": 11.1518708142201, + "reference": "IIR", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 0, + 0, + 0, + 1, + 1, + 1, + 1, + 1, + 2, + 2, + 2, + 2, + 3, + 3, + 3, + 4, + 5, + 5, + 6, + 7, + 7, + 8, + 0, + 0, + 0, + 2, + 2, + 2, + 4, + 4, + 4, + 6, + 6, + 6, + 8, + 8, + 8, + 10, + 10, + 10 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2 + ], + "n": [ + -3.546579500185174, + -0.3646312799563631, + 0.03332333306112814, + -0.6809684338301859, + 7.3521264810280345, + -11.247306378057127, + 5.499167142976577, + -2.401863270213656, + -0.07090364464394744, + -0.2132008868213696, + 0.19783973673284622, + 1.824947698265976, + -0.08605464767044602, + 0.8881373668542004, + -0.9661273471407773, + -0.09852234785295554, + 0.018341936863418316, + -0.03385502040688226, + 0.012492110085780536, + -0.002210567071037713, + 0.002168791332779416, + -0.0002335976904702689, + 3.546579500185174, + 0.3646312799563631, + -0.03332333306112814, + 2.7613383040168675, + -0.06911857102367282, + -0.03332333306112814, + 0.7827613268561544, + -0.03455928551183641, + 0.13781353206688696, + 0.18617312581521558, + -0.03411193928992716, + 0.04593784402229564, + 0.021647001270605898, + -0.00852798482248179, + 0.006203940397171849, + 0.0018521029114874563, + 0.00101674662708817, + 0.0012407880794343697 + ], + "t": [ + 3, + 4, + 5, + 0.0, + 0.5, + 1.0, + 2.0, + 3.0, + 0.0, + 1.0, + 2.0, + 3.0, + 0.0, + 1.0, + 2.0, + 1.0, + 2.0, + 3.0, + 2.0, + 2.0, + 3.0, + 3.0, + 3, + 4, + 5, + 3, + 4, + 5, + 3, + 4, + 5, + 3, + 4, + 5, + 3, + 4, + 5, + 3, + 4, + 5 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "DimethylEther" + }, + "molarweight": 46.06844, + "tc": 400.378, + "rhoc": 5940.000000000001, + "ideal_gas": [ + { + "a1": -1.980976, + "a2": 3.171218, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3.039, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 2.641, + 2.123, + 8.992, + 6.191 + ], + "t": [ + 0.901647942694154, + 2.432701097462898, + 4.785477723551244, + 10.36520488138709 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 3, + 1, + 3, + 2, + 2, + 7, + 1 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 1, + 2, + 1, + 1 + ], + "n": [ + 0.029814139, + 1.43517, + -2.64964, + -0.29515532, + 0.17035607, + -0.94642918, + -0.099250514, + 1.1264071, + -0.76936548, + -0.020717696, + 0.24527037 + ], + "t": [ + 1, + 0.4366, + 1.011, + 1.137, + 0.45, + 2.83, + 1.5, + 1.235, + 2.675, + 0.7272, + 1.816 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 1.28719, + 0.806235, + 0.777942, + 197.681 + ], + "d": [ + 1, + 1, + 3, + 3 + ], + "epsilon": [ + 0.672698, + 0.924246, + 0.750815, + 0.800022 + ], + "eta": [ + 0.965336, + 1.50858, + 0.963855, + 9.72643 + ], + "gamma": [ + 1.27772, + 0.43075, + 0.429607, + 1.13849 + ], + "n": [ + 1.1863438, + -0.49398368, + -0.16388716, + -0.027583584 + ], + "t": [ + 1.783, + 3.779, + 3.282, + 1.059 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "CarbonDioxide" + }, + "molarweight": 44.0098, + "tc": 304.1282, + "rhoc": 10624.9063, + "ideal_gas": [ + { + "a1": 8.37304456, + "a2": -3.70454304, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 2.5, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 1.99427042, + 0.62105248, + 0.41195293, + 1.04028922, + 0.08327678 + ], + "t": [ + 3.15163, + 6.1119, + 6.77708, + 11.32384, + 27.08792 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + }, + { + "a1": -14.4979156224319, + "a2": 8.82013935801453, + "reference": "IIR", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 1, + 2, + 2, + 3, + 1, + 2, + 4, + 5, + 5, + 5, + 6, + 6, + 6, + 1, + 1, + 4, + 4, + 4, + 7, + 8, + 2, + 3, + 3, + 5, + 5, + 6, + 7, + 8, + 10, + 4, + 8 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 3, + 3, + 3, + 4, + 4, + 4, + 4, + 4, + 4, + 5, + 6 + ], + "n": [ + 0.388568232032, + 2.93854759427, + -5.5867188535, + -0.767531995925, + 0.317290055804, + 0.548033158978, + 0.122794112203, + 2.16589615432, + 1.58417351097, + -0.231327054055, + 0.0581169164314, + -0.553691372054, + 0.489466159094, + -0.0242757398435, + 0.0624947905017, + -0.121758602252, + -0.370556852701, + -0.0167758797004, + -0.11960736638, + -0.0456193625088, + 0.0356127892703, + -0.00744277271321, + -0.00173957049024, + -0.0218101212895, + 0.0243321665592, + -0.0374401334235, + 0.143387157569, + -0.134919690833, + -0.0231512250535, + 0.0123631254929, + 0.00210583219729, + -0.000339585190264, + 0.00559936517716, + -0.000303351180556 + ], + "t": [ + 0, + 0.75, + 1, + 2, + 0.75, + 2, + 0.75, + 1.5, + 1.5, + 2.5, + 0, + 1.5, + 2, + 0, + 1, + 2, + 3, + 6, + 3, + 6, + 8, + 6, + 0, + 7, + 12, + 16, + 22, + 24, + 16, + 24, + 8, + 2, + 28, + 14 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 325, + 300, + 300, + 275, + 275 + ], + "d": [ + 2, + 2, + 2, + 3, + 3 + ], + "epsilon": [ + 1, + 1, + 1, + 1, + 1 + ], + "eta": [ + 25, + 25, + 25, + 15, + 20 + ], + "gamma": [ + 1.16, + 1.19, + 1.19, + 1.25, + 1.22 + ], + "n": [ + -213.654886883, + 26641.5691493, + -24027.2122046, + -283.41603424, + 212.472844002 + ], + "t": [ + 1, + 0, + 1, + 3, + 3 + ], + "type": "ResidualHelmholtzGaussian" + }, + { + "A": [ + 0.7, + 0.7, + 0.7 + ], + "B": [ + 0.3, + 0.3, + 1 + ], + "C": [ + 10, + 10, + 12.5 + ], + "D": [ + 275, + 275, + 275 + ], + "a": [ + 3.5, + 3.5, + 3 + ], + "b": [ + 0.875, + 0.925, + 0.875 + ], + "beta": [ + 0.3, + 0.3, + 0.3 + ], + "n": [ + -0.666422765408, + 0.726086323499, + 0.0550686686128 + ], + "type": "ResidualHelmholtzNonAnalytic" + } + ] + }, + { + "identifier": { + "name": "R21" + }, + "molarweight": 102.9227, + "tc": 451.48, + "rhoc": 5110.765599999999, + "ideal_gas": [ + { + "a1": 0, + "a2": 0, + "type": "IdealGasHelmholtzLead" + }, + { + "a": -1, + "type": "IdealGasHelmholtzLogTau" + }, + { + "T0": 298.15, + "Tc": 451.48, + "c": [ + 2.941888561986215, + 0.01573866857206258, + 4.012367529660798e-06, + -3.085298103142579e-08, + 2.125677686617732e-11 + ], + "t": [ + 0, + 1, + 2, + 3, + 4 + ], + "type": "IdealGasHelmholtzCP0PolyT" + }, + { + "a1": -19.5492777147267, + "a2": 12.6393155496886, + "reference": "IIR", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 1, + 1, + 2, + 2, + 2, + 3, + 3, + 4, + 4, + 5, + 0, + 0, + 0 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0 + ], + "n": [ + 0.50467662375195, + -0.732431416212257, + -0.868403860880684, + 0.146234705622829, + -0.280576335158724, + 0.864743657302055, + -2.70767234069002, + 3.30476391081085, + -0.210878239585469, + 0.449531450327333, + 0.120779813434928, + -0.277297954448155, + 0.030544129220629, + -44.3864848810647, + 9.26505601085111, + -0.551709104525115 + ], + "t": [ + 0, + 1, + 2, + 3, + 4, + 0, + 1, + 2, + 0, + 1, + 0, + 1, + 1, + 3, + 4, + 5 + ], + "type": "ResidualHelmholtzPower" + }, + { + "d": [ + 2, + 2, + 2, + 0, + 0, + 0 + ], + "g": [ + 0.07470252, + 0.07470252, + 0.07470252, + 0.07470252, + 0.07470252, + 0.07470252 + ], + "l": [ + 2, + 2, + 2, + 2, + 2, + 2 + ], + "n": [ + 1.21128809697908, + 0.167119476809363, + -0.0504876793555323, + 44.3864848810647, + -9.26505601085111, + 0.551709104525115 + ], + "t": [ + 3, + 4, + 5, + 3, + 4, + 5 + ], + "type": "ResidualHelmholtzExponential" + } + ] + }, + { + "identifier": { + "name": "R1233zd(E)" + }, + "molarweight": 130.4944, + "tc": 439.6, + "rhoc": 3680.0, + "ideal_gas": [ + { + "a1": 0, + "a2": 0, + "type": "IdealGasHelmholtzLead" + }, + { + "a": -1, + "type": "IdealGasHelmholtzLogTau" + }, + { + "T0": 298.15, + "Tc": 439.6, + "c": [ + 4 + ], + "t": [ + 0 + ], + "type": "IdealGasHelmholtzCP0PolyT" + }, + { + "n": [ + 11.795, + 8.6848 + ], + "t": [ + 1.4331210191082802, + 5.072793448589627 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + }, + { + "a1": -20.872151262403126, + "a2": 13.935740313938968, + "reference": "IIR", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + }, + { + "a1": 1.9693156407682189, + "a2": -1.127035692088709, + "reference": "IIR", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 3, + 1, + 3, + 2, + 2, + 7 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 1, + 2, + 1 + ], + "n": [ + 0.0478487, + 1.60644, + -2.27161, + -0.530687, + 0.169641, + -1.85458, + -0.321916, + 0.636411, + -0.121482, + -0.0262755 + ], + "t": [ + 1, + 0.26, + 1.02, + 0.7, + 0.4, + 1.46, + 2.3, + 0.66, + 2.7, + 1.19 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 1.29, + 1.61, + 0.8, + 1.34, + 0.49 + ], + "d": [ + 1, + 1, + 3, + 2, + 2 + ], + "epsilon": [ + 0.508, + 0.366, + 0.38, + 0.773, + 1.17 + ], + "eta": [ + 0.748, + 1.473, + 1.39, + 0.86, + 1.8 + ], + "gamma": [ + 0.89, + 1.13, + 0.7, + 0.91, + 1.2 + ], + "n": [ + 2.37362, + -0.901771, + -0.455962, + -0.602941, + -0.0594311 + ], + "t": [ + 1.62, + 1.13, + 1.7, + 1.35, + 1.5 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "R245ca" + }, + "molarweight": 134.04794, + "tc": 447.57, + "rhoc": 3920, + "ideal_gas": [ + { + "a1": -18.09410031, + "a2": 8.996084665, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 7.888, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 0.8843, + 14.46, + 5.331 + ], + "t": [ + 1.9326585785463726, + 2.5068704336751795, + 6.323033268539 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 3, + 1, + 3, + 2, + 2, + 7 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 1, + 2, + 1 + ], + "n": [ + 0.04489247, + 1.526476, + -2.40832, + -0.5288088, + 0.18222346, + -1.063228, + -0.223149, + 1.18738, + -0.9772383, + -0.02296938 + ], + "t": [ + 1, + 0.26, + 1, + 1.2, + 0.67, + 1.92, + 2, + 1.5, + 1.93, + 1.06 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 2.4, + 1.5, + 4.2, + 379 + ], + "d": [ + 1, + 1, + 3, + 3 + ], + "epsilon": [ + 0.55, + 0.724, + 0.524, + 0.857 + ], + "eta": [ + 1.16, + 1.1, + 1.64, + 13.8 + ], + "gamma": [ + 1.265, + 0.42, + 0.864, + 1.15 + ], + "n": [ + 1.364444, + -0.5080666, + -0.06649496, + -1.128359 + ], + "t": [ + 0.17, + 3.9, + 1, + 1 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "R116" + }, + "molarweight": 138.01182, + "tc": 293.03, + "rhoc": 4444, + "ideal_gas": [ + { + "a1": -10.7088650331, + "a2": 8.9148979056, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 2.4818, + 7.0622, + 7.9951 + ], + "t": [ + 0.6483977749718459, + 2.122649558065727, + 5.016551206361124 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 3, + 7, + 2, + 5, + 1, + 4, + 3, + 4 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 2, + 2, + 3, + 3 + ], + "n": [ + 1.1632, + -2.8123, + 0.77202, + -0.14331, + 0.10227, + 0.00024629, + 0.30893, + -0.028499, + -0.30343, + -0.068793, + -0.027218, + 0.010665 + ], + "t": [ + 0.25, + 1.125, + 1.5, + 1.375, + 0.25, + 0.875, + 0.625, + 1.75, + 3.625, + 3.625, + 14.5, + 12 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "Nitrogen" + }, + "molarweight": 28.01348, + "tc": 126.192, + "rhoc": 11183.901464580624, + "ideal_gas": [ + { + "a1": -12.76952708, + "a2": -0.00784163, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 2.5, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + -0.0001934819, + -1.247742e-05, + 6.678326e-08 + ], + "t": [ + -1, + -2, + -3 + ], + "type": "IdealGasHelmholtzPower" + }, + { + "Tcrit": 126.192, + "Tcrit_units": "K", + "n": [ + 1.012941 + ], + "type": "IdealGasHelmholtzPlanckEinsteinFunctionT", + "v": [ + 3364.011 + ] + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 2, + 2, + 3, + 3, + 1, + 1, + 1, + 3, + 3, + 4, + 6, + 6, + 7, + 7, + 8, + 8, + 1, + 2, + 3, + 4, + 5, + 8, + 4, + 5, + 5, + 8, + 3, + 5, + 6, + 9 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 2, + 2, + 2, + 2, + 2, + 2, + 3, + 3, + 3, + 3, + 4, + 4, + 4, + 4 + ], + "n": [ + 0.924803575275, + -0.492448489428, + 0.661883336938, + -1.92902649201, + -0.0622469309629, + 0.349943957581, + 0.564857472498, + -1.61720005987, + -0.481395031883, + 0.421150636384, + -0.0161962230825, + 0.172100994165, + 0.00735448924933, + 0.0168077305479, + -0.00107626664179, + -0.0137318088513, + 0.000635466899859, + 0.00304432279419, + -0.0435762336045, + -0.0723174889316, + 0.0389644315272, + -0.021220136391, + 0.00408822981509, + -5.51990017984e-05, + -0.0462016716479, + -0.00300311716011, + 0.0368825891208, + -0.0025585684622, + 0.00896915264558, + -0.0044151337035, + 0.00133722924858, + 0.000264832491957 + ], + "t": [ + 0.25, + 0.875, + 0.5, + 0.875, + 0.375, + 0.75, + 0.5, + 0.75, + 2, + 1.25, + 3.5, + 1, + 0.5, + 3, + 0, + 2.75, + 0.75, + 2.5, + 4, + 6, + 6, + 3, + 3, + 6, + 16, + 11, + 15, + 12, + 12, + 7, + 4, + 16 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 325, + 325, + 300, + 275 + ], + "d": [ + 1, + 1, + 3, + 2 + ], + "epsilon": [ + 1, + 1, + 1, + 1 + ], + "eta": [ + 20, + 20, + 15, + 25 + ], + "gamma": [ + 1.16, + 1.16, + 1.13, + 1.25 + ], + "n": [ + 19.6688194015, + -20.911560073, + 0.0167788306989, + 2627.67566274 + ], + "t": [ + 0, + 1, + 2, + 3 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "D5" + }, + "molarweight": 370.7697, + "tc": 618.3, + "rhoc": 810, + "ideal_gas": [ + { + "a1": 94.38924286309562, + "a2": -31.110222240232282, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 51.0, + 57.9, + 35.0 + ], + "t": [ + 0.3574316674753356, + 2.802846514636908, + 7.349183244379751 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 3, + 1, + 3, + 2, + 2, + 7 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 1, + 2, + 1 + ], + "n": [ + 0.0177345, + 4.3133088, + -6.1586863, + -1.4503945, + 0.9519342, + -2.3848036, + -1.4114529, + 0.7255071, + -2.9966803, + -0.0902228 + ], + "t": [ + 1.0, + 0.43, + 0.754, + 0.84, + 0.72, + 2.35, + 2.58, + 0.66, + 1.71, + 1.0163 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 0.37, + 0.11, + 0.1, + 0.37, + 519.0 + ], + "d": [ + 1, + 3, + 2, + 2, + 1 + ], + "epsilon": [ + 0.787, + 0.567, + 0.685, + 0.577, + 0.936 + ], + "eta": [ + 1.046, + 0.993, + 0.545, + 1.128, + 13.9 + ], + "gamma": [ + 1.626, + 1.05, + 1.11, + 1.22, + 1.083 + ], + "n": [ + 6.3033323, + -1.0592923, + 0.79365281, + -1.8982515, + -0.01351964 + ], + "t": [ + 1.114, + 1.85, + 0.9, + 1.05, + 1.09 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "IsoButene" + }, + "molarweight": 56.10631999999999, + "tc": 418.09, + "rhoc": 4170, + "ideal_gas": [ + { + "a1": -0.12737888, + "a2": 2.3125128, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 4.8924, + 7.832, + 7.2867, + 8.7293 + ], + "t": [ + 0.9543399746466072, + 3.037623478198474, + 4.795618168336961, + 9.60797914324667 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 3, + 7, + 2, + 5, + 1, + 4, + 3, + 4 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 2, + 2, + 3, + 3 + ], + "n": [ + 0.77111, + -2.7971, + 1.0118, + 0.02073, + 0.085086, + 0.00021968, + 0.20633, + -0.078843, + -0.23726, + -0.080211, + -0.027001, + 0.013072 + ], + "t": [ + 0.12, + 1.3, + 1.74, + 2.1, + 0.28, + 0.69, + 0.75, + 2, + 4.4, + 4.7, + 15, + 14 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "Neon" + }, + "molarweight": 20.179, + "tc": 44.4, + "rhoc": 24100, + "ideal_gas": [ + { + "a1": -3.0384719151147275, + "a2": 3.253690479855404, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 1.5, + "type": "IdealGasHelmholtzLogTau" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 3, + 1, + 3, + 2, + 2, + 4, + 7 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 1, + 2, + 1, + 1 + ], + "n": [ + 0.031522418, + 3.7716418, + -4.27399448, + -0.756466758, + 0.066679921, + -0.356928434, + -0.053124761, + 0.9407234, + -0.969302374, + 0.461243234, + 0.008184422 + ], + "t": [ + 1.0, + 0.431, + 0.592, + 1.105, + 0.49, + 2.3, + 3.18, + 1.36, + 2.0, + 0.5, + 1.12 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 0.537, + 0.765, + 0.883, + 0.751, + 0.531, + 11.4 + ], + "d": [ + 1, + 1, + 3, + 2, + 1, + 2 + ], + "epsilon": [ + 0.5775, + 0.9137, + 0.7895, + 0.6229, + 0.4992, + 0.869 + ], + "eta": [ + 0.76, + 2.126, + 2.168, + 2.033, + 0.743, + 4.38 + ], + "gamma": [ + 1.997, + 1.782, + 1.663, + 1.837, + 1.953, + 1.658 + ], + "n": [ + 7.84771604, + 6.39604094, + -1.27480579, + -5.51887999, + -8.76652276, + -0.351732709 + ], + "t": [ + 0.41, + 0.64, + 0.579, + 0.6, + 0.52, + 0.655 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "Krypton" + }, + "molarweight": 83.798, + "tc": 209.48, + "rhoc": 10850, + "ideal_gas": [ + { + "a1": -3.7506412806, + "a2": 3.7798018435, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 1.5, + "type": "IdealGasHelmholtzLogTau" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 3, + 7, + 2, + 5, + 1, + 4, + 3, + 4 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 2, + 2, + 3, + 3 + ], + "n": [ + 0.83561, + -2.3725, + 0.54567, + 0.014361, + 0.066502, + 0.0001931, + 0.16818, + -0.033133, + -0.15008, + -0.022897, + -0.021454, + 0.0069397 + ], + "t": [ + 0.25, + 1.125, + 1.5, + 1.375, + 0.25, + 0.875, + 0.625, + 1.75, + 3.625, + 3.625, + 14.5, + 12 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "D6" + }, + "molarweight": 444.924, + "tc": 645.78, + "rhoc": 627.2885477999996, + "ideal_gas": [ + { + "a1": -7.938561730464921, + "a2": 8.452340963237452, + "type": "IdealGasHelmholtzLead" + }, + { + "a": -1, + "type": "IdealGasHelmholtzLogTau" + }, + { + "T0": 518.109977174843, + "Tc": 645.78, + "c": [ + 56.37158920013201, + 118.0111016069331, + 1792.1, + 82.5909330141469, + 786.8 + ], + "type": "IdealGasHelmholtzCP0AlyLee" + }, + { + "a1": 16.2776881308826, + "a2": -9.86112982952628, + "reference": "NBP", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 3, + 7, + 2, + 5, + 1, + 4, + 3, + 4 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 2, + 2, + 3, + 3 + ], + "n": [ + 1.69156186, + -3.37962568, + 0.38609039, + 0.064598995, + 0.10589012, + 4.5456825e-05, + 0.74169279, + -0.088102648, + -0.17373336, + -0.10951368, + -0.062695695, + 0.037459986 + ], + "t": [ + 0.25, + 1.125, + 1.5, + 1.375, + 0.25, + 0.875, + 0.625, + 1.75, + 3.625, + 3.625, + 14.5, + 12 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "R1336mzz(E)" + }, + "molarweight": 164.0491, + "tc": 403.53, + "rhoc": 3129.0, + "ideal_gas": [ + { + "a1": 0.0, + "a2": 0.0, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3.0, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + -17.583859885194016, + 11.524417012948918 + ], + "t": [ + 0.0, + 1.0 + ], + "type": "IdealGasHelmholtzPower" + }, + { + "n": [ + 15.891, + 14.143 + ], + "t": [ + 1.3629717740936238, + 8.609025351275 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 3, + 1, + 3, + 2, + 2, + 7 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 1, + 2, + 1 + ], + "n": [ + 0.08297005, + 1.1213658, + -2.0279038680756, + -0.3486706213113, + 0.13227952, + -1.3751844, + -1.3939029, + 0.11190839, + -0.90635088, + -0.050014594 + ], + "t": [ + 1.0, + 0.117, + 1.0, + 1.0, + 0.413, + 2.44, + 2.51, + 0.535, + 1.927, + 1.186 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 1.237, + 0.384, + 1.24, + 0.46, + 1.326 + ], + "d": [ + 1, + 1, + 3, + 2, + 2 + ], + "epsilon": [ + 1.23, + 0.751, + 0.522, + 0.32, + 1.22 + ], + "eta": [ + 1.234, + 1.34, + 1.13, + 1.15, + 1.3 + ], + "gamma": [ + 1.21, + 2.0, + 1.216, + 2.27, + 1.26 + ], + "n": [ + 1.7953748, + 2.0579712, + -1.0433081, + -1.2459808, + -0.49712249 + ], + "t": [ + 0.876, + 1.23, + 0.875, + 0.5181, + 0.86 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "R141b" + }, + "molarweight": 116.94962000000001, + "tc": 477.5, + "rhoc": 3921.000000000001, + "ideal_gas": [ + { + "a1": -15.5074814985, + "a2": 9.1871858933, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 6.8978, + 7.8157, + 3.2039 + ], + "t": [ + 1.05130890052356, + 3.290052356020942, + 9.63979057591623 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 3, + 7, + 1, + 2, + 5, + 1, + 1, + 4, + 2 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 1, + 2, + 2, + 2, + 3 + ], + "n": [ + 1.1469, + -3.6799, + 1.3469, + 0.083329, + 0.00025137, + 0.3272, + 0.46946, + -0.029829, + -0.31621, + -0.026219, + -0.078043, + -0.020498 + ], + "t": [ + 0.25, + 1.25, + 1.5, + 0.25, + 0.875, + 2.375, + 2, + 2.125, + 3.5, + 6.5, + 4.75, + 12.5 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "p-Xylene" + }, + "molarweight": 106.16499999999999, + "tc": 616.168, + "rhoc": 2693.92, + "ideal_gas": [ + { + "a1": 5.9815241, + "a2": -0.52477835, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 4.2430504, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 5.2291378, + 19.549862, + 16.656178, + 5.9390291 + ], + "t": [ + 0.6718946780748107, + 2.038405110294595, + 4.299152179275782, + 10.84282208748263 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 5, + 1, + 4, + 1, + 1, + 2, + 3, + 1, + 3, + 2, + 2, + 7 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 1, + 2, + 1 + ], + "n": [ + 0.0010786811, + -0.103161822, + 0.0421544125, + 1.47865376, + -2.4266, + -0.46575193, + 0.190290995, + -1.06376565, + -0.209934069, + 1.25159879, + -0.951328356, + -0.0269980032 + ], + "t": [ + 1, + 0.83, + 0.83, + 0.281, + 0.932, + 1.1, + 0.443, + 2.62, + 2.5, + 1.2, + 3, + 0.778 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 2.445, + 1.483, + 4.971, + 413 + ], + "d": [ + 1, + 1, + 3, + 3 + ], + "epsilon": [ + 0.54944, + 0.7234, + 0.4926, + 0.8459 + ], + "eta": [ + 1.179, + 1.065, + 1.764, + 13.675 + ], + "gamma": [ + 1.267, + 0.4242, + 0.864, + 1.1465 + ], + "n": [ + 1.3710318, + -0.494160616, + -0.0724317468, + -3.69464746 + ], + "t": [ + 1.13, + 4.5, + 2.2, + 2 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "MethylLinoleate" + }, + "molarweight": 294.47206, + "tc": 799, + "rhoc": 808.4, + "ideal_gas": [ + { + "a1": -1, + "a2": 0, + "type": "IdealGasHelmholtzLead" + }, + { + "a": -1, + "type": "IdealGasHelmholtzLogTau" + }, + { + "T0": 298, + "Tc": 799, + "c": [ + 22.97031008102499 + ], + "t": [ + 0.020213 + ], + "type": "IdealGasHelmholtzCP0PolyT" + }, + { + "n": [ + 52.60358084073167, + 34.54482738049993, + 38.72236264672008 + ], + "t": [ + 3.81991239048811, + 0.9344568210262828, + 2.032953692115144 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + }, + { + "a1": 56.2531140679551, + "a2": -23.9733038177064, + "reference": "NBP", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 3, + 1, + 3, + 2, + 2, + 7 + ], + "l": [ + 0, + 0, + 0, + 0, + 2, + 2, + 1, + 2, + 1 + ], + "n": [ + 0.03183187, + 1.927286, + -3.685053, + 0.08449312, + -0.9766643, + -0.4323178, + 2.00047, + -1.75203, + -0.01726895 + ], + "t": [ + 1, + 0.2, + 1.2, + 1, + 2.2, + 2.5, + 1.8, + 1.92, + 1.47 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 0.9, + 0.65, + 0.75 + ], + "d": [ + 1, + 1, + 3 + ], + "epsilon": [ + 0.79, + 0.9, + 0.76 + ], + "eta": [ + 1.1, + 1.6, + 1.1 + ], + "gamma": [ + 1.14, + 0.65, + 0.77 + ], + "n": [ + 2.116515, + -0.7884271, + -0.3811699 + ], + "t": [ + 1.7, + 2.3, + 2.1 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "MD2M" + }, + "molarweight": 310.6854, + "tc": 599.4, + "rhoc": 864, + "ideal_gas": [ + { + "a1": 131.089725, + "a2": -26.3839138, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 28.59, + 56.42, + 50.12 + ], + "t": [ + 0.033366700033366704, + 1.9686353019686353, + 7.073740407073741 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 3, + 1, + 3, + 2, + 2, + 7 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 1, + 2, + 1 + ], + "n": [ + 0.01458333, + 3.227554, + -3.503565, + -2.017391, + 0.8606129, + -2.196015, + -0.9289014, + 2.02774, + -0.9168439, + -0.06383507 + ], + "t": [ + 1.0, + 0.319, + 0.829, + 0.78, + 0.687, + 1.29, + 3.91, + 0.77, + 3.055, + 1.013 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 0.7323, + 0.543, + 1.26, + 0.878, + 2.22 + ], + "d": [ + 1, + 1, + 3, + 2, + 2 + ], + "epsilon": [ + 0.874, + 1.43, + 0.855, + 0.815, + 0.491 + ], + "eta": [ + 0.982, + 2.7, + 1.347, + 0.864, + 1.149 + ], + "gamma": [ + 1.042, + 1.1, + 1.146, + 1.085, + 0.6844 + ], + "n": [ + 2.674255, + 0.04662529, + -0.3835361, + -0.4273462, + -1.148009 + ], + "t": [ + 1.07, + 1.89, + 1.133, + 0.826, + 0.83 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "R407C" + }, + "molarweight": 86.2036, + "tc": 359.345, + "rhoc": 5260.000046401775, + "ideal_gas": [ + { + "a1": 2.13194, + "a2": 8.05008, + "type": "IdealGasHelmholtzLead" + }, + { + "a": -1, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + -14.3914 + ], + "t": [ + -0.4 + ], + "type": "IdealGasHelmholtzPower" + }, + { + "n": [ + 1.4245, + 3.9419, + 3.1209 + ], + "t": [ + 2.40437, + 5.25122, + 13.3632 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 5, + 1, + 2, + 2, + 3, + 3, + 5, + 5, + 5, + 1, + 1, + 4, + 4, + 2, + 4, + 5, + 6 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 2, + 2, + 2, + 2, + 3, + 3, + 3, + 3 + ], + "n": [ + 1.0588, + -1.12018, + 0.629064, + -0.351953, + 0.00455978, + -1.75725, + -1.12009, + 0.0277353, + 0.898881, + -1.17591, + 0.0818591, + -0.0794097, + -1.04047e-05, + 0.233779, + -0.29179, + 0.0154776, + -0.0314579, + -0.00442552, + -0.0101254, + 0.00915953, + -0.003615 + ], + "t": [ + 0.241, + 0.69, + 2.58, + 1.15, + 0.248, + 2.15, + 2.43, + 5.3, + 0.76, + 1.48, + 0.24, + 2.86, + 8, + 3.3, + 4.7, + 0.45, + 8.4, + 16.2, + 26, + 16, + 8.7 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "Dichloroethane" + }, + "molarweight": 98.959, + "tc": 561.6, + "rhoc": 4330, + "ideal_gas": [ + { + "a1": 25.029988, + "a2": -4.8999527, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3.0, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 5.35, + 10.05 + ], + "t": [ + 0.04006410256410256, + 3.587962962962963 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 3, + 1, + 3, + 2, + 2, + 7 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 1, + 2, + 1 + ], + "n": [ + 0.051, + 1.99, + -2.595, + -0.6653, + 0.23595, + -1.7, + -0.4453, + 0.672474, + -0.21918, + -0.03554 + ], + "t": [ + 1.0, + 0.352, + 0.89, + 0.824, + 0.498, + 1.63, + 4.07, + 0.679, + 2.85, + 1.07 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 0.574, + 1.8, + 0.462, + 3.22, + 2.22 + ], + "d": [ + 1, + 1, + 3, + 3, + 1 + ], + "epsilon": [ + 0.571, + 0.862, + 0.597, + 1.16, + 0.208 + ], + "eta": [ + 0.66, + 1.36, + 0.711, + 1.7, + 1.11 + ], + "gamma": [ + 0.995, + 0.329, + 0.525, + 0.85, + 0.585 + ], + "n": [ + 0.9765, + -0.495179, + -0.23291174, + -0.01090245, + 0.39209 + ], + "t": [ + 1.7, + 2.09, + 1.93, + 3.72, + 1.58 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "Toluene" + }, + "molarweight": 92.13842, + "tc": 591.75, + "rhoc": 3169, + "ideal_gas": [ + { + "a1": 3.5241174832, + "a2": 1.1360823464, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 1.6994, + 8.0577, + 17.059, + 8.4567, + 8.6423 + ], + "t": [ + 0.3210815378115758, + 1.346852555978031, + 2.735952682720744, + 5.191381495564005, + 13.37558090409801 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 3, + 7, + 2, + 5, + 1, + 4, + 3, + 4 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 2, + 2, + 3, + 3 + ], + "n": [ + 0.96464, + -2.7855, + 0.86712, + -0.1886, + 0.11804, + 0.00025181, + 0.57196, + -0.029287, + -0.43351, + -0.1254, + -0.028207, + 0.014076 + ], + "t": [ + 0.25, + 1.125, + 1.5, + 1.375, + 0.25, + 0.875, + 0.625, + 1.75, + 3.625, + 3.625, + 14.5, + 12 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "Isopentane" + }, + "molarweight": 72.14878, + "tc": 460.35, + "rhoc": 3271, + "ideal_gas": [ + { + "a1": 2.5822330405, + "a2": 1.1609103419, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 7.4056, + 9.5772, + 15.765, + 12.119 + ], + "t": [ + 0.9601390246551537, + 2.409036602584989, + 4.494406429890301, + 9.108287172803301 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 3, + 7, + 2, + 5, + 1, + 4, + 3, + 4 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 2, + 2, + 3, + 3 + ], + "n": [ + 1.0963, + -3.0402, + 1.0317, + -0.1541, + 0.11535, + 0.00029809, + 0.39571, + -0.045881, + -0.35804, + -0.10107, + -0.035484, + 0.018156 + ], + "t": [ + 0.25, + 1.125, + 1.5, + 1.375, + 0.25, + 0.875, + 0.625, + 1.75, + 3.625, + 3.625, + 14.5, + 12 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "R123" + }, + "molarweight": 152.931, + "tc": 456.831, + "rhoc": 3596.417, + "ideal_gas": [ + { + "a1": 0, + "a2": 0, + "type": "IdealGasHelmholtzLead" + }, + { + "a": -1, + "type": "IdealGasHelmholtzLogTau" + }, + { + "T0": 298, + "Tc": 456.82, + "cp_over_R": 2.046009, + "type": "IdealGasHelmholtzCP0Constant" + }, + { + "T0": 298, + "Tc": 456.82, + "c": [ + 0.04866685127621383, + -5.586658475955018e-05, + 2.823486262027407e-08 + ], + "t": [ + 1, + 2, + 3 + ], + "type": "IdealGasHelmholtzCP0PolyT" + }, + { + "a1": -26.675860613148, + "a2": 16.0562030850291, + "reference": "IIR", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 1, + 1, + 2, + 2, + 2, + 2, + 3, + 3, + 3, + 4, + 5, + 5, + 6, + 7, + 7, + 8, + 0, + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 2, + 4, + 4, + 4, + 6, + 6, + 6, + 8, + 8, + 8, + 10, + 10, + 10 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2 + ], + "n": [ + -0.2843794314511017, + 5.939281103209252, + -9.3656038952803, + 4.166607936753421, + -1.7402329295113845, + 0.17701990536487813, + -1.5472169226048678, + 1.618204955902326, + 2.889035293831577, + -0.11849387475720602, + 1.3095226620887583, + -1.1730810371070863, + -0.1281251319502905, + -0.07860873875128996, + -0.08160004993052974, + 0.053645105431063045, + -0.006800782119285551, + 0.007012640821910758, + -0.0009017623973110119, + -10.024264609507279, + -0.28060765935596244, + 0.020681452051475355, + 10.024264609507279, + 0.28060765935596244, + -0.020681452051475355, + 7.989238691092167, + -0.5479720681527366, + -0.020681452051475355, + 2.4914272182002284, + -0.2739860340763683, + 0.23600186106591514, + 0.5405282468302359, + -0.06004575637764492, + 0.07866728702197172, + 0.0708085870232336, + -0.01501143909441123, + 0.001822051976772171, + 0.0031497857360693253, + 0.007844555699191144, + 0.0003644103953544342 + ], + "t": [ + 0.0, + 0.5, + 1.0, + 2.0, + 3.0, + 0.0, + 1.0, + 2.0, + 3.0, + 0.0, + 1.0, + 2.0, + 1.0, + 2.0, + 3.0, + 2.0, + 2.0, + 3.0, + 3.0, + 3, + 4, + 5, + 3, + 4, + 5, + 3, + 4, + 5, + 3, + 4, + 5, + 3, + 4, + 5, + 3, + 4, + 5, + 3, + 4, + 5 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "RC318" + }, + "molarweight": 200.03119999999998, + "tc": 388.38, + "rhoc": 3099.38, + "ideal_gas": [ + { + "a1": 0, + "a2": 0, + "type": "IdealGasHelmholtzLead" + }, + { + "a": -1, + "type": "IdealGasHelmholtzLogTau" + }, + { + "T0": 298.15, + "Tc": 388.38, + "c": [ + 2.911028455074322, + 0.06984062483537816, + -6.093191543939451e-05, + 1.857067747732578e-08 + ], + "t": [ + 0, + 1, + 2, + 3 + ], + "type": "IdealGasHelmholtzCP0PolyT" + }, + { + "a1": -32.5172232538152, + "a2": 20.7826742209953, + "reference": "IIR", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 1, + 1, + 2, + 2, + 2, + 3, + 3, + 4, + 4, + 5, + 0, + 0, + 0 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0 + ], + "n": [ + 1.09415573664603, + -2.68265247887176, + 1.73403070801418, + -1.63611253452478, + 0.304834511239559, + 0.102771559991302, + -0.023236791408773, + 0.166151971110653, + -0.0250103944487447, + 0.0935681090149423, + 0.043192919662493, + -0.133439867188959, + 0.025541668325497, + -1.04729119771286, + 1.38034128674154, + -0.333625770182218 + ], + "t": [ + 0, + 1, + 2, + 3, + 4, + 0, + 1, + 2, + 0, + 1, + 0, + 1, + 1, + 3, + 4, + 5 + ], + "type": "ResidualHelmholtzPower" + }, + { + "d": [ + 2, + 2, + 2, + 0, + 0, + 0 + ], + "g": [ + 0.99944, + 0.99944, + 0.99944, + 0.99944, + 0.99944, + 0.99944 + ], + "l": [ + 2, + 2, + 2, + 2, + 2, + 2 + ], + "n": [ + -0.510485822124397, + 1.81840742529488, + -1.38530904967474, + 1.04729119771286, + -1.38034128674154, + 0.333625770182218 + ], + "t": [ + 3, + 4, + 5, + 3, + 4, + 5 + ], + "type": "ResidualHelmholtzExponential" + } + ] + }, + { + "identifier": { + "name": "R22" + }, + "molarweight": 86.468, + "tc": 369.295, + "rhoc": 6058.220000000001, + "ideal_gas": [ + { + "a1": -15.86079407387002, + "a2": 11.68367319965483, + "type": "IdealGasHelmholtzLead" + }, + { + "a": -1, + "type": "IdealGasHelmholtzLogTau" + }, + { + "T0": 273.15, + "Tc": 369.295, + "cp_over_R": 4.00526140446, + "type": "IdealGasHelmholtzCP0Constant" + }, + { + "T0": 273.15, + "Tc": 369.295, + "c": [ + 0.000120662553 + ], + "t": [ + 1 + ], + "type": "IdealGasHelmholtzCP0PolyT" + }, + { + "n": [ + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 1 + ], + "t": [ + 11.78545471777306, + 5.240144329059424, + 5.111575732138263, + 4.589509308276581, + 4.34795618678834, + 3.147982615524174, + 2.322026780757931, + 1.640223615266927, + 1.437630674663887 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + }, + { + "a1": 1.17703822802506, + "a2": -0.622087185111783, + "reference": "IIR", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 2, + 2, + 2, + 3, + 3, + 4, + 5, + 6, + 7, + 7, + 7, + 8, + 8, + 2, + 2, + 2, + 2, + 3, + 4, + 4, + 4, + 4, + 6, + 6, + 6, + 8, + 8, + 8 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 2, + 2, + 3, + 2, + 2, + 2, + 4, + 2, + 2, + 4, + 2, + 2, + 4 + ], + "n": [ + 0.0695645445236, + 25.2275419999, + -202.351148311, + 350.063090302, + -223.134648863, + 48.8345904592, + 0.0108874958556, + 0.590315073614, + -0.689043767432, + 0.284224445844, + 0.125436457897, + -0.0113338666416, + -0.063138895917, + 0.00974021015232, + -0.000408406844722, + 0.00074194877357, + 0.000315912525922, + 8.76009723338e-06, + -0.000110343340301, + -7.05323356879e-05, + 0.23585073151, + -0.192640494729, + 0.00375218008557, + -4.48926036678e-05, + 0.0198120520635, + -0.0356958425255, + 0.0319594161562, + 2.60284291078e-06, + -0.00897629021967, + 0.0345482791645, + -0.00411831711251, + 0.00567428536529, + -0.00563368989908, + 0.00191384919423, + -0.00178930036389 + ], + "t": [ + -1, + 1.75, + 2.25, + 2.5, + 2.75, + 3, + 5.5, + 1.5, + 1.75, + 3.5, + 1, + 4.5, + 1.5, + 0.5, + 4.5, + 1, + 4, + 5, + -0.5, + 3.5, + 5, + 7, + 12, + 15, + 3.5, + 3.5, + 8, + 15, + 25, + 3, + 9, + 19, + 2, + 7, + 13 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "DiethylEther" + }, + "molarweight": 74.1216, + "tc": 466.7, + "rhoc": 3561.7148, + "ideal_gas": [ + { + "a1": 17.099494, + "a2": -6.160844, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3.36281, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + -8.943822, + 0.54621, + -0.016604 + ], + "t": [ + -1, + -2, + -3 + ], + "type": "IdealGasHelmholtzPower" + }, + { + "a1": -10.069069173143562, + "a2": 6.670358952207117, + "reference": "NBP", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 3, + 3, + 5, + 1, + 1, + 2, + 5, + 1, + 3, + 4, + 5, + 2 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 1, + 1, + 2, + 2, + 2, + 2, + 3 + ], + "n": [ + 0.376700499, + -0.116630334, + -0.73801498, + -0.2725701, + -0.04979231, + 0.172267029, + 0.0044161891, + -1.53951612, + 1.15606052, + -0.0184504019, + -0.101800599, + -0.403598704, + 0.00213055571, + -0.154741976, + 0.0120950552, + -0.0143106371 + ], + "t": [ + -0.75, + -0.25, + 1.25, + 0.75, + -1, + -0.375, + 1.25, + 2.375, + 3.0, + 2.625, + 1.875, + 4.5, + 5.75, + 5.375, + 2.75, + 14.5 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "CycloHexane" + }, + "molarweight": 84.15948, + "tc": 553.6, + "rhoc": 3224, + "ideal_gas": [ + { + "a1": 0.9891140602, + "a2": 1.6359660572, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 0.83775, + 16.036, + 24.636, + 7.1715 + ], + "t": [ + 1.396315028901734, + 1.69978323699422, + 3.946893063583815, + 8.11958092485549 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 3, + 1, + 3, + 2, + 2, + 7 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 1, + 2, + 1 + ], + "n": [ + 0.05483581, + 1.607734, + -2.375928, + -0.5137709, + 0.1858417, + -0.9007515, + -0.5628776, + 0.2903717, + -0.3279141, + -0.03177644 + ], + "t": [ + 1, + 0.37, + 0.79, + 1.075, + 0.37, + 2.4, + 2.5, + 0.5, + 3, + 1.06 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 0.38, + 4.2, + 1.2, + 0.9, + 1.2, + 2.6, + 5.3, + 4.4, + 4.2, + 25 + ], + "d": [ + 1, + 1, + 3, + 3, + 2, + 2, + 3, + 2, + 3, + 2 + ], + "epsilon": [ + 0.73, + 0.75, + 0.48, + 2.32, + 0.2, + 1.33, + 0.68, + 1.11, + 1.47, + 0.99 + ], + "eta": [ + 0.99, + 1.43, + 0.97, + 1.93, + 0.92, + 1.27, + 0.87, + 0.82, + 1.4, + 3 + ], + "gamma": [ + 0.65, + 0.63, + 1.14, + 0.09, + 0.56, + 0.4, + 1.01, + 0.45, + 0.85, + 0.86 + ], + "n": [ + 0.8668676, + -0.1962725, + -0.1425992, + 0.004197016, + 0.1776584, + -0.04433903, + -0.03861246, + 0.07399692, + 0.02036006, + 0.00272825 + ], + "t": [ + 1.6, + 0.37, + 1.33, + 2.5, + 0.9, + 0.5, + 0.73, + 0.2, + 1.5, + 1.5 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "R1243zf" + }, + "molarweight": 96.05113, + "tc": 376.93, + "rhoc": 4300.0, + "ideal_gas": [ + { + "a1": -12.06546081, + "a2": 8.207216743, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3.0, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 11.247, + 8.1391 + ], + "t": [ + 2.093226859098506, + 5.826015440532725 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 3, + 1, + 3, + 2, + 2, + 7 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 1, + 2, + 1 + ], + "n": [ + 0.0383741, + 1.551307798, + -1.918093187, + -0.536888401, + 0.116850286, + -2.004856821, + -1.589616187, + 0.351405821, + -1.110707332, + -0.014517895 + ], + "t": [ + 1.0, + 0.43, + 1.0, + 1.0, + 0.3, + 1.95, + 2.19, + 0.77, + 2.81, + 1.03 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 0.698, + 2.95, + 0.697, + 2.94, + 0.57 + ], + "d": [ + 1, + 1, + 3, + 2, + 2 + ], + "epsilon": [ + 0.998, + 1.06, + 0.655, + 0.861, + 0.61 + ], + "eta": [ + 1.067, + 1.498, + 1.006, + 1.41, + 0.98 + ], + "gamma": [ + 1.35, + 1.2, + 1.286, + 1.18, + 1.0 + ], + "n": [ + 2.521451755, + 1.410134214, + -0.787246964, + -1.103521137, + -0.692133362 + ], + "t": [ + 1.48, + 1.12, + 1.62, + 1.17, + 1.6 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "n-Dodecane" + }, + "molarweight": 170.33483999999999, + "tc": 658.1, + "rhoc": 1330, + "ideal_gas": [ + { + "a1": 0, + "a2": 0, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 22.085, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 37.776, + 29.369, + 12.461, + 7.7733 + ], + "t": [ + 1.944993162133414, + 3.645342653092235, + 8.661297675125361, + 21.07430481689713 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + }, + { + "a1": 20.5642482037682, + "a2": -15.5930644722635, + "reference": "NBP", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 3, + 7, + 2, + 5, + 1, + 4, + 3, + 4 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 2, + 2, + 3, + 3 + ], + "n": [ + 1.38031, + -2.85352, + 0.288897, + -0.165993, + 0.0923993, + 0.000282772, + 0.956627, + 0.0353076, + -0.445008, + -0.118911, + -0.0366475, + 0.0184223 + ], + "t": [ + 0.32, + 1.23, + 1.5, + 1.4, + 0.07, + 0.8, + 2.16, + 1.1, + 4.1, + 5.6, + 14.5, + 12 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "R13I1" + }, + "molarweight": 195.9104, + "tc": 396.44, + "rhoc": 4430.6, + "ideal_gas": [ + { + "a1": 0, + "a2": 0, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 6.2641 + ], + "t": [ + 1.7505801634547473 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + }, + { + "a1": -24.691504134838297, + "a2": 14.217528781905427, + "reference": "IIR", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 3, + 7, + 2, + 5, + 1, + 4, + 3, + 4 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 2, + 2, + 3, + 3 + ], + "n": [ + 1.12191, + -3.08087, + 1.11307, + -0.184885, + 0.110971, + 0.000325, + 0.333357, + -0.0288288, + -0.371554, + -0.0997985, + -0.0333205, + 0.0207882 + ], + "t": [ + 0.25, + 1.125, + 1.5, + 1.375, + 0.25, + 0.875, + 0.625, + 1.75, + 3.625, + 3.625, + 14.5, + 12.0 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "Air" + }, + "molarweight": 28.96546, + "tc": 132.6312, + "rhoc": 10447.7, + "ideal_gas": [ + { + "a1": 0, + "a2": 0, + "type": "IdealGasHelmholtzLead" + }, + { + "n": [ + 6.057194e-08, + -2.10274769e-05, + -0.000158860716, + -13.841928076, + 17.275266575, + -0.00019536342 + ], + "t": [ + -3, + -2, + -1, + 0, + 1, + 1.5 + ], + "type": "IdealGasHelmholtzPower" + }, + { + "a": 2.490888032, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 0.791309509, + 0.212236768 + ], + "t": [ + 25.36365, + 16.90741 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + }, + { + "c": [ + 0.6666666666666666 + ], + "d": [ + 1 + ], + "n": [ + -0.197938904 + ], + "t": [ + 87.31279 + ], + "type": "IdealGasHelmholtzPlanckEinsteinGeneralized" + }, + { + "a1": 10.3753039487406, + "a2": 3.31112445645577, + "reference": "OTH", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 3, + 3, + 4, + 4, + 4, + 6, + 1, + 3, + 5, + 6, + 1, + 3, + 11, + 1, + 3 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 1, + 1, + 2, + 2, + 2, + 3, + 3 + ], + "n": [ + 0.118160747229, + 0.713116392079, + -1.61824192067, + 0.0714140178971, + -0.0865421396646, + 0.134211176704, + 0.0112626704218, + -0.0420533228842, + 0.0349008431982, + 0.000164957183186, + -0.101365037912, + -0.17381369097, + -0.0472103183731, + -0.0122523554253, + -0.146629609713, + -0.0316055879821, + 0.000233594806142, + 0.0148287891978, + -0.00938782884667 + ], + "t": [ + 0, + 0.33, + 1.01, + 0, + 0, + 0.15, + 0, + 0.2, + 0.35, + 1.35, + 1.6, + 0.8, + 0.95, + 1.25, + 3.6, + 6, + 3.25, + 3.5, + 15 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "OrthoDeuterium" + }, + "molarweight": 4.0282, + "tc": 38.34, + "rhoc": 17230, + "ideal_gas": [ + { + "a1": -2.0672670563, + "a2": 2.4234599781, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 1.5, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 4.04482, + -4.65391, + -4.65342, + 3.46313, + -4.58637, + -4.6503, + -4.65124, + 2.67024, + 15.20455, + 0.87164, + -4.7608, + 4.32447 + ], + "t": [ + 41.49713093375065, + 12.56129368805425, + 12.32133541992697, + 9.447052686489306, + 53.15597287428273, + 12.08137715179969, + 12.81429316640584, + 70.77203964527908, + 16.13458528951487, + 225.4042775169536, + 25.08346374543558, + 6.604068857589984 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 3, + 1, + 3, + 2, + 2, + 2, + 1, + 1, + 3, + 2 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 2, + 2, + 2, + 2 + ], + "n": [ + 0.006267958, + 10.53609, + -10.14149, + 0.356061, + 0.1824472, + -1.129638, + -0.0549812, + -0.6791329, + 1.347918, + -0.8657582, + 1.719146, + -1.917977, + 0.1233365, + -0.07936891 + ], + "t": [ + 1, + 0.462, + 0.5584, + 0.627, + 1.201, + 0.309, + 1.314, + 1.1166, + 1.25, + 1.25, + 1.395, + 1.627, + 1, + 2.5 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 0.613, + 0.584, + 0.57, + 1.056, + 1.01, + 1.025, + 1.029 + ], + "d": [ + 1, + 1, + 2, + 3, + 3, + 1, + 3 + ], + "epsilon": [ + 1.46, + 1.7864, + 1.647, + 0.541, + 0.969, + 1.892, + 1.076 + ], + "eta": [ + 0.868, + 0.636, + 0.668, + 0.65, + 0.745, + 0.782, + 0.693 + ], + "gamma": [ + 0.6306, + 0.711, + 0.6446, + 0.8226, + 0.992, + 1.2184, + 1.203 + ], + "n": [ + 1.686617, + -4.240326, + 1.857114, + -0.5903705, + 1.520171, + 2.361373, + -2.297315 + ], + "t": [ + 0.635, + 0.664, + 0.7082, + 2.25, + 1.524, + 0.67, + 0.709 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "Isohexane" + }, + "molarweight": 86.17536, + "tc": 497.7, + "rhoc": 2715.000000000001, + "ideal_gas": [ + { + "a1": 6.9259123919, + "a2": -0.3128629679, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 7.9127, + 16.871, + 19.257, + 14.075 + ], + "t": [ + 0.6530038175607796, + 2.310628892907374, + 4.816154309825196, + 11.84046614426361 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 3, + 7, + 2, + 5, + 1, + 4, + 3, + 4 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 2, + 2, + 3, + 3 + ], + "n": [ + 1.1027, + -2.9699, + 1.0295, + -0.21238, + 0.11897, + 0.00027738, + 0.40103, + -0.034238, + -0.43584, + -0.11693, + -0.019262, + 0.0080783 + ], + "t": [ + 0.25, + 1.125, + 1.5, + 1.375, + 0.25, + 0.875, + 0.625, + 1.75, + 3.625, + 3.625, + 14.5, + 12 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "NitrousOxide" + }, + "molarweight": 44.0128, + "tc": 309.52, + "rhoc": 10270, + "ideal_gas": [ + { + "a1": -4.4262736272, + "a2": 4.3120475243, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 2.5, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 2.1769, + 1.6145, + 0.48393 + ], + "t": [ + 2.839881106229, + 7.663478935125356, + 17.598216593435 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 3, + 7, + 1, + 2, + 5, + 1, + 1, + 4, + 2 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 1, + 2, + 2, + 2, + 3 + ], + "n": [ + 0.88045, + -2.4235, + 0.38237, + 0.068917, + 0.00020367, + 0.13122, + 0.46032, + -0.0036985, + -0.23263, + -0.00042859, + -0.04281, + -0.023038 + ], + "t": [ + 0.25, + 1.25, + 1.5, + 0.25, + 0.875, + 2.375, + 2, + 2.125, + 3.5, + 6.5, + 4.75, + 12.5 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "Fluorine" + }, + "molarweight": 37.99681000000001, + "tc": 144.414, + "rhoc": 15603, + "ideal_gas": [ + { + "n": [ + 3.0717001e-06, + -5.2985762e-05, + -16.372517, + 3.6884682e-05, + 4.3887271 + ], + "t": [ + -4, + -3, + 1, + 2, + 0 + ], + "type": "IdealGasHelmholtzPower" + }, + { + "a": 2.5011231, + "type": "IdealGasHelmholtzLogTau" + }, + { + "c": [ + 1 + ], + "d": [ + -1 + ], + "n": [ + 1.012767 + ], + "t": [ + -8.9057501 + ], + "type": "IdealGasHelmholtzPlanckEinsteinGeneralized" + }, + { + "a1": 0, + "a2": 0, + "type": "IdealGasHelmholtzLead" + }, + { + "a1": -7.97036812567026, + "a2": 19.8946542032696, + "reference": "NBP", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 1, + 2, + 2, + 3, + 3, + 4, + 4, + 5, + 8, + 9 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0 + ], + "n": [ + 1.51144749736, + -2.98666288409, + 3.29644905098, + -2.98458624201, + -2.28688966459, + -1.094921934, + 3.04775277572, + 0.115689564208, + -1.16100171627, + 0.295656394476, + 0.0711482542928, + -0.00171363832155, + 0.000665317955515 + ], + "t": [ + 0, + 0.5, + 1.5, + 2, + 0.5, + 1, + 0.5, + 2, + 0.5, + 1, + 0, + 0.5, + 0 + ], + "type": "ResidualHelmholtzPower" + }, + { + "d": [ + 2, + 2, + 2, + 2, + 3, + 3, + 3, + 4, + 4, + 4, + 5, + 6, + 7, + 8, + 12, + 4, + 6, + 6 + ], + "g": [ + 1.078102576, + 1.078102576, + 1.078102576, + 1.078102576, + 1.078102576, + 1.078102576, + 1.078102576, + 1.078102576, + 1.078102576, + 1.078102576, + 1.078102576, + 1.078102576, + 1.078102576, + 1.078102576, + 1.078102576, + 2.156205153, + 3.234307729, + 3.234307729 + ], + "l": [ + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2, + 2 + ], + "n": [ + 5.06026676251, + -6.2926843544, + 6.17784808739, + -1.55366191788, + -2.87170687343, + 3.17214480494, + -2.67969025215, + 2.71865479252, + -1.07191065039, + 1.26597342291, + -0.706244695489, + 0.268707888826, + 0.0527251190274, + 0.0544411481926, + 0.000228949994105, + -5.479082643040001e-10, + -0.096427322495, + 0.000368084486225 + ], + "t": [ + 1, + 3, + 4, + 5, + 1, + 4, + 5, + 1, + 3, + 5, + 4, + 4, + 1, + 1, + 5, + 30, + 20, + 25 + ], + "type": "ResidualHelmholtzExponential" + } + ] + }, + { + "identifier": { + "name": "n-Nonane" + }, + "molarweight": 128.2551, + "tc": 594.55, + "rhoc": 1810, + "ideal_gas": [ + { + "a1": 10.7927224829, + "a2": -8.2418318753, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 16.349, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 24.926, + 24.842, + 11.188, + 17.483 + ], + "t": [ + 2.053654024051804, + 3.774283071230343, + 8.423177192834919, + 19.71911529728366 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 3, + 7, + 2, + 5, + 1, + 4, + 3, + 4 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 2, + 2, + 3, + 3 + ], + "n": [ + 1.1151, + -2.702, + 0.83416, + -0.38828, + 0.1376, + 0.00028185, + 0.62037, + 0.015847, + -0.61726, + -0.15043, + -0.012982, + 0.0044325 + ], + "t": [ + 0.25, + 1.125, + 1.5, + 1.375, + 0.25, + 0.875, + 0.625, + 1.75, + 3.625, + 3.625, + 14.5, + 12 + ], + "type": "ResidualHelmholtzPower" + } + ] + }, + { + "identifier": { + "name": "SulfurHexafluoride" + }, + "molarweight": 146.05541920000002, + "tc": 318.7232, + "rhoc": 5082.317411198119, + "ideal_gas": [ + { + "a1": 11.638611086, + "a2": -6.392241811, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 3.66118232, + 7.87885103, + 3.45981679 + ], + "t": [ + 1.617282065, + 2.747115139, + 4.232907175 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + }, + { + "a1": -27.047571044927, + "a2": 17.2073865481014, + "reference": "IIR", + "type": "IdealGasHelmholtzEnthalpyEntropyOffset" + } + ], + "residual": [ + { + "d": [ + 1, + 1, + 1, + 2, + 2, + 2, + 3, + 3, + 4, + 6, + 1, + 2, + 2, + 2, + 3, + 6, + 2, + 2, + 4, + 4, + 2, + 2 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 1, + 1, + 1, + 1, + 1, + 1, + 2, + 2, + 2, + 2, + 3, + 3 + ], + "n": [ + 0.54958259132835, + -0.87905033269396, + -0.84656969731452, + 0.27692381593529, + -4.9864958372345, + 4.8879127058055, + 0.036917081634281, + 0.00037030130305087, + 0.039389132911585, + 0.00042477413690006, + -0.02415001386389, + 0.059447650642255, + -0.38302880142267, + 0.32606800951983, + -0.029955940562031, + -0.086579186671173, + 4.1600684707562, + -4.1398128855814, + -0.55842159922714, + 0.56531382776891, + 0.0082612463415545, + -0.01020099533808 + ], + "t": [ + 0.125, + 1.25, + 1.875, + 0.125, + 1.5, + 1.625, + 1.5, + 5.625, + 0.625, + 0.25, + 6, + 0.25, + 4.75, + 5.375, + 5.875, + 2, + 5.875, + 6, + 5.625, + 5.75, + 0, + 0.5 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 150, + 150, + 150, + 150, + 225, + 300, + 350, + 350, + 350, + 350, + 400, + 400, + 400, + 400 + ], + "d": [ + 1, + 3, + 4, + 1, + 1, + 4, + 3, + 4, + 4, + 4, + 1, + 1, + 3, + 3 + ], + "epsilon": [ + 0.85, + 0.85, + 0.85, + 0.85, + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 1, + 1 + ], + "eta": [ + 10, + 10, + 10, + 10, + 11, + 25, + 30, + 30, + 30, + 30, + 30, + 30, + 30, + 30 + ], + "gamma": [ + 1.13, + 1.13, + 1.13, + 1.16, + 1.19, + 1.19, + 1.16, + 1.16, + 1.16, + 1.16, + 1.22, + 1.22, + 1.22, + 1.22 + ], + "n": [ + -0.021662523861406, + 0.034650943893908, + -0.028694281385812, + 0.0084007238998053, + -0.26969359922498, + 9.0415215646344, + -3.7233103557977, + -2752.4670823704, + 5771.1861697319, + -3023.4003119748, + 2225277.843536, + -2305606.5559032, + 6391885.2944475, + -6079209.1415592 + ], + "t": [ + 4, + 1, + 3, + 2, + 4, + 3, + 4, + 1, + 2, + 3, + 3, + 4, + 3, + 4 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "R236FA" + }, + "molarweight": 152.0384, + "tc": 398.07, + "rhoc": 3626, + "ideal_gas": [ + { + "a1": -17.5983849, + "a2": 8.87150449, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 9.175, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 9.8782, + 18.236, + 49.934 + ], + "t": [ + 2.416660386364208, + 6.014017635089306, + 13.03288366367724 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 3, + 1, + 3, + 2, + 2, + 7 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 1, + 2, + 1 + ], + "n": [ + 0.04453255, + 1.777017, + -2.230519, + -0.6708606, + 0.1587907, + -1.425119, + -0.6461628, + 0.8469985, + -0.5635356, + -0.01535611 + ], + "t": [ + 1.07, + 0.222, + 0.66, + 1.33, + 0.227, + 2.33, + 1.94, + 1.53, + 2.65, + 0.722 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 1.42, + 2.31, + 0.89, + 80, + 108 + ], + "d": [ + 1, + 1, + 3, + 3, + 2 + ], + "epsilon": [ + 0.712, + 0.91, + 0.677, + 0.718, + 1.64 + ], + "eta": [ + 1.02, + 1.336, + 1.055, + 5.84, + 16.2 + ], + "gamma": [ + 1.13, + 0.67, + 0.46, + 1.28, + 1.2 + ], + "n": [ + 1.156362, + -0.407031, + -0.2172753, + -1.007176, + -6.902909e-05 + ], + "t": [ + 1.11, + 2.31, + 3.68, + 4.23, + 0.614 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + }, + { + "identifier": { + "name": "EthyleneOxide" + }, + "molarweight": 44.05256, + "tc": 468.92, + "rhoc": 7170, + "ideal_gas": [ + { + "a1": -3.90644775, + "a2": 4.0000956, + "type": "IdealGasHelmholtzLead" + }, + { + "a": 3.0, + "type": "IdealGasHelmholtzLogTau" + }, + { + "n": [ + 6.79, + 4.53, + 3.68 + ], + "t": [ + 2.8363047001620743, + 4.627655037106543, + 9.532542864454491 + ], + "type": "IdealGasHelmholtzPlanckEinstein" + } + ], + "residual": [ + { + "d": [ + 4, + 1, + 1, + 2, + 3, + 1, + 3, + 2, + 2, + 7 + ], + "l": [ + 0, + 0, + 0, + 0, + 0, + 2, + 2, + 1, + 2, + 1 + ], + "n": [ + 0.0300676, + 2.1629, + -2.72041, + -0.53931, + 0.181051, + -2.61292, + -2.08004, + 0.3169968, + -1.6532, + -0.01981719 + ], + "t": [ + 1.0, + 0.41, + 0.79, + 1.06, + 0.58, + 2.0, + 2.2, + 0.73, + 2.4, + 0.97 + ], + "type": "ResidualHelmholtzPower" + }, + { + "beta": [ + 0.62, + 1.11, + 0.62, + 368, + 0.66, + 1.87 + ], + "d": [ + 1, + 1, + 3, + 3, + 2, + 1 + ], + "epsilon": [ + 0.705, + 0.821, + 0.791, + 1.08, + 1.64, + 1.51 + ], + "eta": [ + 1.02, + 1.55, + 1.44, + 14, + 1.63, + 1.9 + ], + "gamma": [ + 0.847, + 0.34, + 0.265, + 1.13, + 0.36, + 1.05 + ], + "n": [ + 3.34387, + -0.950671, + -0.445528, + -0.005409938, + -0.0638824, + -0.093912 + ], + "t": [ + 1.87, + 2.08, + 2.8, + 0.97, + 3.15, + 0.7 + ], + "type": "ResidualHelmholtzGaussian" + } + ] + } +] \ No newline at end of file diff --git a/py-feos/Cargo.toml b/py-feos/Cargo.toml index 46e79d8b6..ddfc8bbcf 100644 --- a/py-feos/Cargo.toml +++ b/py-feos/Cargo.toml @@ -48,6 +48,7 @@ uvtheory = ["feos/uvtheory"] pets = ["feos/pets"] saftvrqmie = ["feos/saftvrqmie"] saftvrmie = ["feos/saftvrmie"] +multiparameter = ["feos/multiparameter"] rayon = ["dep:rayon", "ndarray/rayon", "feos-core/rayon", "feos-dft?/rayon"] ad = ["feos-core/rayon"] all_models = [ @@ -59,4 +60,5 @@ all_models = [ "pets", "saftvrqmie", "saftvrmie", + "multiparameter" ] diff --git a/py-feos/src/eos/constructors.rs b/py-feos/src/eos/constructors.rs index b8fb4f67f..bb3044b9e 100644 --- a/py-feos/src/eos/constructors.rs +++ b/py-feos/src/eos/constructors.rs @@ -71,14 +71,17 @@ impl PyEquationOfState { /// Returns /// ------- /// EquationOfState - fn python_ideal_gas(&mut self, ideal_gas: Vec>) -> PyResult<()> { - self.add_ideal_gas( + fn python_ideal_gas<'py>( + slf: Bound<'py, Self>, + ideal_gas: Vec>, + ) -> PyResult> { + slf.borrow_mut().add_ideal_gas( ideal_gas .into_iter() .map(|i| Ok(IdealGasModel::Python(Arc::new(PyIdealGas::new(i)?)))) .collect::>()?, ); - Ok(()) + Ok(slf) } /// Ideal gas model of Joback and Reid. @@ -91,14 +94,14 @@ impl PyEquationOfState { /// Returns /// ------- /// EquationOfState - fn joback(&mut self, joback: PyGcParameters) -> PyResult<()> { - self.add_ideal_gas( + fn joback(slf: Bound<'_, Self>, joback: PyGcParameters) -> PyResult> { + slf.borrow_mut().add_ideal_gas( Joback::new(joback.try_convert_homosegmented()?) .into_iter() .map(IdealGasModel::Joback) .collect(), ); - Ok(()) + Ok(slf) } /// Ideal gas model based on DIPPR equations for the ideal @@ -112,13 +115,13 @@ impl PyEquationOfState { /// Returns /// ------- /// EquationOfState - fn dippr(&mut self, dippr: PyParameters) -> PyResult<()> { - self.add_ideal_gas( + fn dippr(slf: Bound<'_, Self>, dippr: PyParameters) -> PyResult> { + slf.borrow_mut().add_ideal_gas( Dippr::new(dippr.try_convert()?) .into_iter() .map(IdealGasModel::Dippr) .collect(), ); - Ok(()) + Ok(slf) } } diff --git a/py-feos/src/eos/mod.rs b/py-feos/src/eos/mod.rs index 2ea0c7b94..07aea6d88 100644 --- a/py-feos/src/eos/mod.rs +++ b/py-feos/src/eos/mod.rs @@ -15,6 +15,8 @@ mod constructors; mod epcsaft; #[cfg(feature = "gc_pcsaft")] mod gc_pcsaft; +#[cfg(feature = "multiparameter")] +mod multiparameter; #[cfg(feature = "pcsaft")] mod pcsaft; #[cfg(feature = "pets")] diff --git a/py-feos/src/eos/multiparameter.rs b/py-feos/src/eos/multiparameter.rs new file mode 100644 index 000000000..dd98abed7 --- /dev/null +++ b/py-feos/src/eos/multiparameter.rs @@ -0,0 +1,57 @@ +use super::PyEquationOfState; +use crate::ideal_gas::IdealGasModel; +use crate::parameter::PyParameters; +use crate::residual::ResidualModel; +use feos::multiparameter::MultiParameter; +use feos_core::EquationOfState; +use pyo3::prelude::*; +use std::sync::Arc; + +#[pymethods] +impl PyEquationOfState { + /// Multiparameter Helmholtz energy equations of state. + /// + /// Parameters + /// ---------- + /// parameters : Parameters + /// The parameters of the multiparameter Helmholtz equation of state. + /// + /// Returns + /// ------- + /// EquationOfState + #[staticmethod] + pub fn multiparameter(parameters: PyParameters) -> PyResult { + let eos = MultiParameter::new(parameters.try_convert()?); + let residual = ResidualModel::MultiParameter(eos.residual); + let ideal_gas = eos + .ideal_gas + .into_iter() + .map(IdealGasModel::MultiParameter) + .collect(); + Ok(Self(Arc::new(EquationOfState::new(ideal_gas, residual)))) + } + + /// Ideal gas model used in multiparameter Helmholtz energy equations of state. + /// + /// Parameters + /// ---------- + /// parameters : Parameters + /// The parameters of the multiparameter Helmholtz equation of state. + /// + /// Returns + /// ------- + /// EquationOfState + pub fn multiparameter_ideal_gas( + slf: Bound<'_, Self>, + parameters: PyParameters, + ) -> PyResult> { + let eos = MultiParameter::new(parameters.try_convert()?); + let ideal_gas = eos + .ideal_gas + .into_iter() + .map(IdealGasModel::MultiParameter) + .collect(); + slf.borrow_mut().add_ideal_gas(ideal_gas); + Ok(slf) + } +} diff --git a/py-feos/src/ideal_gas.rs b/py-feos/src/ideal_gas.rs index a96b33260..75f2cab82 100644 --- a/py-feos/src/ideal_gas.rs +++ b/py-feos/src/ideal_gas.rs @@ -15,5 +15,7 @@ pub enum IdealGasModel { NoModel, Joback(Joback), Dippr(Dippr), + #[cfg(feature = "multiparameter")] + MultiParameter(feos::multiparameter::MultiParameterIdealGas), Python(Arc), } diff --git a/py-feos/src/residual.rs b/py-feos/src/residual.rs index 17974c508..17e1a90f5 100644 --- a/py-feos/src/residual.rs +++ b/py-feos/src/residual.rs @@ -55,6 +55,10 @@ pub enum ResidualModel { #[implement(molar_weight)] UVTheory(feos::uvtheory::UVTheory), + #[cfg(feature = "multiparameter")] + #[implement(molar_weight)] + MultiParameter(feos::multiparameter::MultiParameter), + // Helmholtz energy functionals #[cfg(all(feature = "dft", feature = "pcsaft"))] #[implement(molar_weight, functional, fluid_parameters, pair_potential)]