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A reliable method for liquid-liquid phase equilibrium calculation and global stability analysis
Alternative TitleChem. Eng. Commun.
Zhu, YS; Xu, ZH
1999
Source PublicationCHEMICAL ENGINEERING COMMUNICATIONS
ISSN0098-6445
Volume176Issue:1Pages:133-160
AbstractA new algorithm to determine liquid-liquid phase equilibrium at the global minimum of the Gibbs free energy is presented, the optimization results are then used by Newton-Raphson method to obtain the final accurate phase equilibrium compositions. The tangent plane distance function criterion is used as the sufficient and necessary condition for the global stability analysis, its global minimum is obtained by the simulated annealing algorithm in order to overcome the multiple local minimum problem. The Gibbs free energy functions for liquid-liquid equilibrium systems are formulated by NRTL or UNIQUAC activity coefficient equation. Aiming to overcome the nonconvex problem of the Gibbs free energy function the simulated annealing algorithm is used for achieving a near true equilibrium solution, this solution then is used as the initial values of the Newton-Raphson method. Our algorithm was implemented and tested for six examples with three components and up to three liquid phases. In all of the examples, results for liquid-liquid equilibrium calculations and global stability analysis were found to be reliable. The main advantage of our algorithm is its simplicity and that it is model independent.; A new algorithm to determine liquid-liquid phase equilibrium at the global minimum of the Gibbs free energy is presented, the optimization results are then used by Newton-Raphson method to obtain the final accurate phase equilibrium compositions. The tangent plane distance function criterion is used as the sufficient and necessary condition for the global stability analysis, its global minimum is obtained by the simulated annealing algorithm in order to overcome the multiple local minimum problem. The Gibbs free energy functions for liquid-liquid equilibrium systems are formulated by NRTL or UNIQUAC activity coefficient equation. Aiming to overcome the nonconvex problem of the Gibbs free energy function the simulated annealing algorithm is used for achieving a near true equilibrium solution, this solution then is used as the initial values of the Newton-Raphson method. Our algorithm was implemented and tested for six examples with three components and up to three liquid phases. In all of the examples, results for liquid-liquid equilibrium calculations and global stability analysis were found to be reliable. The main advantage of our algorithm is its simplicity and that it is model independent.
KeywordLiquid-liquid Equilibria Global Stability Global Optimization Gibbs Free Energy Tangent Plane Distance Function Simulated Annealing Algorithm
SubtypeArticle
WOS HeadingsScience & Technology ; Technology
URL查看原文
Indexed BySCI
Language英语
WOS KeywordTHERMODYNAMIC ENERGY ANALYSIS ; CRITICAL-POINT CALCULATIONS ; ISOTHERMAL FLASH PROBLEM ; GIBBS FREE-ENERGY ; CHEMICAL-EQUILIBRIUM ; OPTIMIZATION ; COMPUTATION ; MINIMIZATION ; PREDICTION ; STRATEGY
WOS Research AreaEngineering
WOS SubjectEngineering, Chemical
WOS IDWOS:000084412000007
Citation statistics
Cited Times:8[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Version出版稿
Identifierhttp://ir.ipe.ac.cn/handle/122111/6050
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 method for liquid-liquid phase equilibrium calculation and global stability analysis[J]. CHEMICAL ENGINEERING COMMUNICATIONS,1999,176(1):133-160.
APA Zhu, YS,&Xu, ZH.(1999).A reliable method for liquid-liquid phase equilibrium calculation and global stability analysis.CHEMICAL ENGINEERING COMMUNICATIONS,176(1),133-160.
MLA Zhu, YS,et al."A reliable method for liquid-liquid phase equilibrium calculation and global stability analysis".CHEMICAL ENGINEERING COMMUNICATIONS 176.1(1999):133-160.
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