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A reliable prediction of the global phase stability for liquid-liquid equilibrium through the simulated annealing algorithm: Application to NRTL and UNIQUAC equations
Alternative TitleFluid Phase Equilib.
Zhu, YS; Xu, ZH
1999-01-04
Source PublicationFLUID PHASE EQUILIBRIA
ISSN0378-3812
Volume154Issue:1Pages:55-69
AbstractThe simulated annealing algorithm is introduced to search the global optimal solutions for the multipeak phenomena which generally exist in the phase stability problems with continuous variables. The Gibbs free energy criterion was modeled by the NRTL and UNIQUAC activity coefficient equations. When previous approaches fail, it is usually because they locate local minima due to the nonconvex and nonlinear natures of the models used to predict phase equilibrium. In this paper, the preliminary results show that the global minimum of the tangent plane distance function (TPDF) can be obtained by using the simulated annealing algorithm. The effects of the initial and the final values of the control parameter, the decrement of the control parameter and the length of the Markov chains are analyzed. The optimal 'cooling schedule' was obtained according to the calculation results of the phase stability problems for one ternary mixture. The liquid-liquid equilibrium compositions were calculated by the Newton-Raphson method on the basis of the global minimum of TPDF. The results of four examples show that the simulated annealing algorithm can effectively solve the global phase stability problem. (C) 1999 Elsevier Science B.V. All rights reserved.; The simulated annealing algorithm is introduced to search the global optimal solutions for the multipeak phenomena which generally exist in the phase stability problems with continuous variables. The Gibbs free energy criterion was modeled by the NRTL and UNIQUAC activity coefficient equations. When previous approaches fail, it is usually because they locate local minima due to the nonconvex and nonlinear natures of the models used to predict phase equilibrium. In this paper, the preliminary results show that the global minimum of the tangent plane distance function (TPDF) can be obtained by using the simulated annealing algorithm. The effects of the initial and the final values of the control parameter, the decrement of the control parameter and the length of the Markov chains are analyzed. The optimal 'cooling schedule' was obtained according to the calculation results of the phase stability problems for one ternary mixture. The liquid-liquid equilibrium compositions were calculated by the Newton-Raphson method on the basis of the global minimum of TPDF. The results of four examples show that the simulated annealing algorithm can effectively solve the global phase stability problem. (C) 1999 Elsevier Science B.V. All rights reserved.
KeywordPhase Stability Global Optimization Simulated Annealing Algorithm Gibbs Energy Liquid-liquid Equilibria
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences ; Technology
URL查看原文
Indexed BySCI
Language英语
WOS KeywordTHERMODYNAMIC ENERGY ANALYSIS ; CRITICAL-POINT CALCULATIONS ; GIBBS FREE-ENERGY ; CHEMICAL-EQUILIBRIUM ; OPTIMIZATION ; COMPUTATION ; MIXTURES ; STRATEGY ; FLASH
WOS Research AreaThermodynamics ; Chemistry ; Engineering
WOS SubjectThermodynamics ; Chemistry, Physical ; Engineering, Chemical
WOS IDWOS:000077632600005
Citation statistics
Cited Times:35[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Version出版稿
Identifierhttp://ir.ipe.ac.cn/handle/122111/6051
Collection研究所(批量导入)
AffiliationChinese Acad Sci, Inst Chem Met, Beijing 100080, Peoples R China
Recommended Citation
GB/T 7714
Zhu, YS,Xu, ZH. A reliable prediction of the global phase stability for liquid-liquid equilibrium through the simulated annealing algorithm: Application to NRTL and UNIQUAC equations[J]. FLUID PHASE EQUILIBRIA,1999,154(1):55-69.
APA Zhu, YS,&Xu, ZH.(1999).A reliable prediction of the global phase stability for liquid-liquid equilibrium through the simulated annealing algorithm: Application to NRTL and UNIQUAC equations.FLUID PHASE EQUILIBRIA,154(1),55-69.
MLA Zhu, YS,et al."A reliable prediction of the global phase stability for liquid-liquid equilibrium through the simulated annealing algorithm: Application to NRTL and UNIQUAC equations".FLUID PHASE EQUILIBRIA 154.1(1999):55-69.
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