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	A reliable method for liquid-liquid phase equilibrium calculation and global stability analysis
	Zhu, YS; Xu, ZH
刊名	CHEMICAL ENGINEERING COMMUNICATIONS
	1999
卷号	176期号:1页码:133-160
关键词	liquid-liquid equilibria global stability global optimization Gibbs free energy tangent plane distance function simulated annealing algorithm
ISSN号	0098-6445
其他题名	Chem. Eng. Commun.
中文摘要	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.
英文摘要	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.
WOS标题词	Science & Technology ; Technology
类目[WOS]	Engineering, Chemical
研究领域[WOS]	Engineering
关键词[WOS]	THERMODYNAMIC ENERGY ANALYSIS ; CRITICAL-POINT CALCULATIONS ; ISOTHERMAL FLASH PROBLEM ; GIBBS FREE-ENERGY ; CHEMICAL-EQUILIBRIUM ; OPTIMIZATION ; COMPUTATION ; MINIMIZATION ; PREDICTION ; STRATEGY
收录类别	SCI
原文出处	://WOS:000084412000007
语种	英语
WOS记录号	WOS:000084412000007
公开日期	2013-11-15
内容类型	期刊论文
版本	出版稿
源URL	[http://ir.ipe.ac.cn/handle/122111/6050]
专题	过程工程研究所_研究所（批量导入）
作者单位	Chinese Acad Sci, Inst Chem Met, Beijing 100080, Peoples R China
推荐引用方式 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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