Separation of cis-trans isomers
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I am currently working on the distillation separation of a pair of cis-trans isomers that are not present in the database. The molecular structure of these isomers is known, and their boiling points have been calculated using UNIFAC based on that structure. Unfortunately, it’s not possible to determine the boiling points of the cis and trans isomers separately. I have also obtained their VLE data under vacuum conditions, as this substance must be distilled under vacuum; otherwise it will decompose. Therefore, its normal boiling point cannot be determined. Can simulation calculations be carried out under these conditions? Can its boiling point be determined through regression using VLE data? I would appreciate some advice from those who are more experienced, thank you!
The original poster seems to be a real expert. I hope more experts will join in the discussions; I’ll give points to those who participate