Hello,
I'm using FeOs to calculate liquid-liquid-equilibria (in python). To get started, I tried reconstructing the VLE/LLE found in 10.1021/ie010954d Fig.8 (methanol - cyclohexane). At first i used feos.eos.PhaseDiagram.binary_vlle, however this returns a PhaseDiagramHetero which apparently does not have a to_dict - function. Is there a different way of plotting a PhaseDiagramHetero other than converting it into a pd.DataFrame and plotting the dataframe? If so, where is it documented?
Afterwards, I used a combination of a feos.eos.PhaseDiagram.binary_vle and a feos.eos.PhaseDiagram.binary_lle, as they both return a PhaseDiagram object which can be converted to a dataframe. When comparing my results to the ones provided in 10.1021/ie010954d Fig.8, the LLE looks off, especially at lower methanol mole fractions, as can be seen in the picture attached (the coloured lines being my results, black lines coming from the paper).
I'm now wondering if the issue originates from a mistake on my end or if perhaps from the LLE calcultation itself? If I did something wrong, please don't hesitate to tell me 😄
Lastly, I'm planning on calculating and plotting ternary LLE in the future. Is that possible with FeOs? I did not find anything about ternary systems (especially plotting them) in the FeOs documentation!
Kind regards
Hello,
I'm using FeOs to calculate liquid-liquid-equilibria (in python). To get started, I tried reconstructing the VLE/LLE found in 10.1021/ie010954d Fig.8 (methanol - cyclohexane). At first i used feos.eos.PhaseDiagram.binary_vlle, however this returns a PhaseDiagramHetero which apparently does not have a to_dict - function. Is there a different way of plotting a PhaseDiagramHetero other than converting it into a pd.DataFrame and plotting the dataframe? If so, where is it documented?
Afterwards, I used a combination of a feos.eos.PhaseDiagram.binary_vle and a feos.eos.PhaseDiagram.binary_lle, as they both return a PhaseDiagram object which can be converted to a dataframe. When comparing my results to the ones provided in 10.1021/ie010954d Fig.8, the LLE looks off, especially at lower methanol mole fractions, as can be seen in the picture attached (the coloured lines being my results, black lines coming from the paper).
I'm now wondering if the issue originates from a mistake on my end or if perhaps from the LLE calcultation itself? If I did something wrong, please don't hesitate to tell me 😄
Lastly, I'm planning on calculating and plotting ternary LLE in the future. Is that possible with FeOs? I did not find anything about ternary systems (especially plotting them) in the FeOs documentation!
Kind regards