Parameter estimation for VLE calculation by global minimization: The genetic algorithm

被引：59

作者：

Alvarez, V. H. ^{[1
]}

Larico, R. ^{[2
]}

Ianos, Y. ^{[2
]}

Aznar, M. ^{[1
]}

机构：

[1] Univ Estadual Campinas, Sch Chem Engn, BR-13081970 Campinas, SP, Brazil

[2] Univ Estadual Campinas, Sch Elect Engn & Computat, BR-13081970 Campinas, SP, Brazil

来源：

BRAZILIAN JOURNAL OF CHEMICAL ENGINEERING | 2008年 / 25卷 / 02期

关键词：

genetic algorithm; vapor-liquid equilibrium; activity coefficient; parameter estimation; global optimization;

D O I：

10.1590/S0104-66322008000200018

中图分类号：

TQ [化学工业];

学科分类号：

0817 ;

摘要：

Vapor-liquid equilibrium calculations require global minimization of deviations in pressure and gas phase compositions. in this work, two versions of a stochastic global optimization technique, the genetic algorithm, the freeware MyGA program, and the modified mMyGA program, are evaluated and compared for vapor-liquid equilibrium problems. Reliable experimental data from the literature oil vapor liquid equilibrium for water + formic acid, tert-butanol + 1-butanol and water + 1,2-ethanediol systems were correlated using the Wilson equation for activity coefficients, considering acid association in both liquid and vapor phases. The results show that the modified mMyGA is generally more accurate and reliable than the original MyGA. Next, the mMyGA program is applied to the CO2 + ethanol and CO2 + 1-n-butyl-3-methylimidazolium hexafluorophosphate systems, and the results show a good fit for the data.

引用

页码：409 / 418

页数：10

共 43 条

[1]

ALVAREZ VH, 2007, THESIS STATE U CAMPI

[2]

[Anonymous], 1998, Genetic programming: an introduction

[3]

[Anonymous], 2001, An introduction to genetic algorithms

[4]

Cardozo-Filho L., 1997, Ciencia e Tecnologia de Alimentos, V17, P481

[5]

Chalov NV, 1957, GIDROLIZ LESOKHIM PR, V10, P15

[6]

CHALOV NV, 1958, I GIDROLIZ SULFITNOS, V6, P149

[7]

Conti J.J., 1960, J CHEM ENG DATA, V5, P301, DOI [10.1021/je60007a019, DOI 10.1021/JE60007A019]

[8] An efficient constraint handling method for genetic algorithms [J].

Deb, K .

COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING, 2000, 186 (2-4) :311-338

[9]

*DIPPR INF DAT EV, 2000, DIAD PUBL 1 2

[10] Reliable nonlinear parameter estimation in VLE modeling [J].

Gau, CY ;

Brennecke, JF ;

Stadtherr, MA .

FLUID PHASE EQUILIBRIA, 2000, 168 (01) :1-18

← 1 2 3 4 5 →