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Title: Design of solvents for extractive distillation

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.

Authors:
;
Publication Date:
Research Org.:
Univ. of Stellenbosch (ZA)
OSTI Identifier:
20076083
Alternate Identifier(s):
OSTI ID: 20076083
Resource Type:
Journal Article
Journal Name:
Industrial and Engineering Chemistry Research
Additional Journal Information:
Journal Volume: 39; Journal Issue: 5; Other Information: PBD: May 2000; Journal ID: ISSN 0888-5885
Country of Publication:
United States
Language:
English
Subject:
32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATION; SOLVENTS; COMPUTER-AIDED DESIGN; SOLVENT EXTRACTION; DISTILLATION; BOILING POINTS; MELTING POINTS; ALGORITHMS

Citation Formats

Dyk, B. van, and Nieuwoudt, I. Design of solvents for extractive distillation. United States: N. p., 2000. Web.
Dyk, B. van, & Nieuwoudt, I. Design of solvents for extractive distillation. United States.
Dyk, B. van, and Nieuwoudt, I. Mon . "Design of solvents for extractive distillation". United States.
@article{osti_20076083,
title = {Design of solvents for extractive distillation},
author = {Dyk, B. van and Nieuwoudt, I.},
abstractNote = {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.},
doi = {},
journal = {Industrial and Engineering Chemistry Research},
issn = {0888-5885},
number = 5,
volume = 39,
place = {United States},
year = {2000},
month = {5}
}