A reliable prediction of the global phase stability for liquid-liquid equilibrium through the simulated annealing algorithm: Application to NRTL and UNIQUAC equations

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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
	Zhu, YS; Xu, ZH
刊名	FLUID PHASE EQUILIBRIA
	1999-01-04
卷号	154 期号:1 页码:55-69
关键词	phase stability global optimization simulated annealing algorithm Gibbs energy liquid-liquid equilibria
ISSN号	0378-3812
其他题名	Fluid Phase Equilib.
中文摘要	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.
英文摘要	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.
WOS标题词	Science & Technology ; Physical Sciences ; Technology
类目[WOS]	Thermodynamics ; Chemistry, Physical ; Engineering, Chemical
研究领域[WOS]	Thermodynamics ; Chemistry ; Engineering
关键词[WOS]	THERMODYNAMIC ENERGY ANALYSIS ; CRITICAL-POINT CALCULATIONS ; GIBBS FREE-ENERGY ; CHEMICAL-EQUILIBRIUM ; OPTIMIZATION ; COMPUTATION ; MIXTURES ; STRATEGY ; FLASH
收录类别	SCI
原文出处	://WOS:000077632600005
语种	英语
WOS记录号	WOS:000077632600005
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/122111/6051]
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 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.