Fix unexpected behavior in the initialization of bubble and dew point calculations (#138)

prehner · web-flow · commit 8b5859a5181c · 2023-03-09T17:44:07.000+01:00
* Fix unexpected behavior in the initialization of bubble and dew point calculations

* Add changelog entry
diff --git a/feos-core/CHANGELOG.md b/feos-core/CHANGELOG.md
@@ -5,6 +5,8 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/),
 and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html).
 
 ## Unreleased
+### Fixed
+- Fixed a bug that caused the bubble and dew point solvers to ignore the initial values for the opposing phase given by the user if no initial value for temperature/pressure was also given. [#138](https://github.com/feos-org/feos/pull/138)
 
 ## [0.4.0] - 2023-01-27
 ### Added
diff --git a/feos-core/src/phase_equilibria/bubble_dew.rs b/feos-core/src/phase_equilibria/bubble_dew.rs
@@ -142,7 +142,7 @@ impl<E: EquationOfState> PhaseEquilibrium<E, 2> {
                         tp_spec,
                         p,
                         molefracs_spec,
-                        Some(&x),
+                        molefracs_init.or(Some(&x)),
                         bubble,
                         options,
                     )

Original file line number	Diff line number	Diff line change
`@@ -142,7 +142,7 @@ impl<E: EquationOfState> PhaseEquilibrium<E, 2> {`
`142`	`142`	`tp_spec,`
`143`	`143`	`p,`
`144`	`144`	`molefracs_spec,`
`145`		`- Some(&x),`
	`145`	`+ molefracs_init.or(Some(&x)),`
`146`	`146`	`bubble,`
`147`	`147`	`options,`
`148`	`148`	`)`