parameters = PcSaftParameters.from_json(
['toluene', 'acetone'],
'../parameters/pcsaft/loetgeringlin2018.json'
)
pcsaft = HelmholtzEnergyFunctional.pcsaft(parameters)
vle = PhaseDiagram.binary_vle(pcsaft, 300 * KELVIN, 251)
gamma = [PlanarInterface.from_tanh(pe, 1024, 100 * ANGSTROM, 500 * KELVIN).solve().surface_tension() for pe in vle.states]results in RuntimeError: The matrix appears to be singular. for both end-points (pure substances) of the phase diagram.
The above functionality can be done with a SurfaceTensionDiagram but would it be helpful to handle PhaseEquilibrium inputs for mixtures with x=1?
results in
RuntimeError: The matrix appears to be singular.for both end-points (pure substances) of the phase diagram.The above functionality can be done with a
SurfaceTensionDiagrambut would it be helpful to handlePhaseEquilibriuminputs for mixtures withx=1?