Parameter estimation for VLE calculation by global minimization: the genetic algorithm
| Autor: | Martín Aznar, R. Larico, Y. Ianos, Víctor H. Alvarez |
|---|---|
| Rok vydání: | 2008 |
| Předmět: |
Activity coefficient
Work (thermodynamics) Chromatography Vapor-liquid equilibrium Chemistry Estimation theory General Chemical Engineering lcsh:TP155-156 Gas phase Genetic algorithm Parameter estimation Applied mathematics Vapor–liquid equilibrium Global optimization Minification lcsh:Chemical engineering |
| Zdroj: | Brazilian Journal of Chemical Engineering, Volume: 25, Issue: 2, Pages: 409-418, Published: JUN 2008 Brazilian Journal of Chemical Engineering, Vol 25, Iss 2, Pp 409-418 (2008) Brazilian Journal of Chemical Engineering v.25 n.2 2008 Brazilian Journal of Chemical Engineering Associação Brasileira de Engenharia Química (ABEQ) instacron:ABEQ |
| ISSN: | 0104-6632 |
| DOI: | 10.1590/s0104-66322008000200018 |
| Popis: | 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 on 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. |
| Databáze: | OpenAIRE |
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