Design of solvents for extractive distillation
Journal Article
·
· Industrial and Engineering Chemistry Research
OSTI ID:20076083
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.
- Research Organization:
- Univ. of Stellenbosch (ZA)
- OSTI ID:
- 20076083
- Journal Information:
- Industrial and Engineering Chemistry Research, Vol. 39, Issue 5; Other Information: PBD: May 2000; ISSN 0888-5885
- Country of Publication:
- United States
- Language:
- English
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