Closed ErichMace closed 1 year ago
The binary VLE routine currently first tries to compute the pure-substance VLEs and - if a component is super-critical - will try to compute the critical point of the mixture which here fails.
Now, with the next version (0.4.0) it will be possible to create a PhaseDiagram
object from multiple, "manually" constructed VLE's. You will be able to calculate VLE's using one of the available methods (tp-flash, dew- and bubble points) and put those into a PhaseDiagram
. See #113. In the future, we may introduce a way to handle this issue within the binary_vle
routine.
Note that, if you just want to generate a plot, you don't need the PhaseDiagram
. You already can generate PhaseEquilibrium
objects, e.g. for the pressure range you are interested in.
I think for these kind of "difficult" phase equilibria involving highly volatile components like argon, hydrogen, or helium, the solution presented in #113 is sufficient for now and therefore I'm closing this issue.
When creating a binary phase diagram using PhaseDiagram.binary_vle() the current algorithm is not able to handle systems where a critical point does not exist. This would be the case, for example, for the mixture Ar-NH3 at 298.15 K.