Design of solvents for extractive distillation

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dc.contributor.authorvan Dyk B.
dc.contributor.authorNieuwoudt I.
dc.date.accessioned2011-05-15T16:01:48Z
dc.date.available2011-05-15T16:01:48Z
dc.date.issued2000
dc.description.abstractA method is proposed for the computer-aided molecular design of solvents for extractive distillation. The method is based on a genetic algorithm and uses UNIFAC to estimate relative volatilities. Joback's group contribution methods are used to estimate boiling and freezing points. A number of enhancements, including seeding, evolving fitness functions, and biased gene selection have been included. The method has been implemented in a computer program that runs on a standard desktop computer. A number of industrially significant systems were investigated, and the predicted solvents compare very favorably with those that are currently in use.A method is proposed for the computer-aided molecular design of solvents for extractive distillation. The method is based on a genetic algorithm and uses UNIFAC to estimate relative volatilities. Joback's group contribution methods are used to estimate boiling and freezing points. A number of enhancements, including seeding, evolving fitness functions, and biased gene selection have been included. The method has been implemented in a computer program that runs on a standard desktop computer. A number of industrially significant systems were investigated, and the predicted solvents compare very favorably with those that are currently in use.
dc.description.versionArticle
dc.identifier.citationIndustrial and Engineering Chemistry Research
dc.identifier.citation39
dc.identifier.citation5
dc.identifier.issn8885885
dc.identifier.urihttp://hdl.handle.net/10019.1/12160
dc.subjectExtractive distillation
dc.subjectComputer aided design
dc.subjectExtraction
dc.subjectGenetic algorithms
dc.subjectPersonal computers
dc.subjectSolvents
dc.subjectDistillation
dc.subjectacetic acid ethyl ester
dc.subjectalcohol
dc.subjectmethanol
dc.subjectsolvent
dc.subjectwater
dc.subjectarticle
dc.subjectchromosome
dc.subjectcomputer aided design
dc.subjectcomputer program
dc.subjectdistillation
dc.subjectextraction
dc.subjectpoint mutation
dc.subjectreproducibility
dc.subjectvolatilization
dc.titleDesign of solvents for extractive distillation
dc.typeArticle
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