Design of solvents for extractive distillation
Date
2000
Authors
van Dyk B.
Nieuwoudt I.
Journal Title
Journal ISSN
Volume Title
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Abstract
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.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.
Description
Keywords
Extractive distillation, Computer aided design, Extraction, Genetic algorithms, Personal computers, Solvents, Distillation, acetic acid ethyl ester, alcohol, methanol, solvent, water, article, chromosome, computer aided design, computer program, distillation, extraction, point mutation, reproducibility, volatilization
Citation
Industrial and Engineering Chemistry Research
39
5
39
5