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Calculation of liquid-liquid equilibrium based on the global stability analysis for ternary mixtures by using a novel branch and bound algorithm: Application to UNIQUAC equation
Alternative TitleInd. Eng. Chem. Res.
Zhu, YS; Xu, ZH
1999-09-01
Source PublicationINDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
ISSN0888-5885
Volume38Issue:9Pages:3549-3556
AbstractIn this paper, a novel branch and bound algorithm based on the idea of Horst (Math Program. 1976, 10, 312) was developed to minimize the tangent plane distance function (TPDF) of the stability analysis problem where nonideal liquid phases are described by the UNIQUAC activity coefficient equation. Some simple transformations were used to construct the DC (i.e., difference of two convex functions) programming of TPDF that does not rely on any newly introduced parameters except the inner ones of the UNIQUAC equation. A compact partition of the feasible space and a valid underestimation function of the TPDF depending on the linear characteristics of the stability analysis problem were developed to guarantee the new branch and bound algorithm obtaining the epsilon-global convergence to the global solution of the TPDF. In comparison with the algorithms presented by Sun and Seider (Fluid Phase Equilib. 1995, 103, 213) and McDonald and Floudas (AlChE J. 1995, 41, 1798), the novel branch and bound algorithm is slightly slower; however, it can provide complete reliability for solving the phase stability analysis problem. Liquid-liquid equilibrium compositions were then calculated by the Newton-Raphson method (Fluid Phase Equilib. 1982, 9, 21) on the basis of the global minimum of TPDF. The preliminary calculation results for three ternary systems showed that the novel branch and bound algorithm can solve the global stability problem effectively.; In this paper, a novel branch and bound algorithm based on the idea of Horst (Math Program. 1976, 10, 312) was developed to minimize the tangent plane distance function (TPDF) of the stability analysis problem where nonideal liquid phases are described by the UNIQUAC activity coefficient equation. Some simple transformations were used to construct the DC (i.e., difference of two convex functions) programming of TPDF that does not rely on any newly introduced parameters except the inner ones of the UNIQUAC equation. A compact partition of the feasible space and a valid underestimation function of the TPDF depending on the linear characteristics of the stability analysis problem were developed to guarantee the new branch and bound algorithm obtaining the epsilon-global convergence to the global solution of the TPDF. In comparison with the algorithms presented by Sun and Seider (Fluid Phase Equilib. 1995, 103, 213) and McDonald and Floudas (AlChE J. 1995, 41, 1798), the novel branch and bound algorithm is slightly slower; however, it can provide complete reliability for solving the phase stability analysis problem. Liquid-liquid equilibrium compositions were then calculated by the Newton-Raphson method (Fluid Phase Equilib. 1982, 9, 21) on the basis of the global minimum of TPDF. The preliminary calculation results for three ternary systems showed that the novel branch and bound algorithm can solve the global stability problem effectively.
KeywordGibbs Free-energy Equal-area Rule Critical-point Calculations Isothermal Flash Problem Fluid-phase Equilibria Chemical-equilibrium Multiphase Equilibria Cubic Equation State Models Optimization
SubtypeArticle
WOS HeadingsScience & Technology ; Technology
URL查看原文
Indexed BySCI
Language英语
WOS KeywordGIBBS FREE-ENERGY ; EQUAL-AREA RULE ; CRITICAL-POINT CALCULATIONS ; ISOTHERMAL FLASH PROBLEM ; FLUID-PHASE EQUILIBRIA ; CHEMICAL-EQUILIBRIUM ; MULTIPHASE EQUILIBRIA ; CUBIC EQUATION ; STATE MODELS ; OPTIMIZATION
WOS Research AreaEngineering
WOS SubjectEngineering, Chemical
WOS IDWOS:000082525700044
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Cited Times:12[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Version出版稿
Identifierhttp://ir.ipe.ac.cn/handle/122111/5868
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. Calculation of liquid-liquid equilibrium based on the global stability analysis for ternary mixtures by using a novel branch and bound algorithm: Application to UNIQUAC equation[J]. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,1999,38(9):3549-3556.
APA Zhu, YS,&Xu, ZH.(1999).Calculation of liquid-liquid equilibrium based on the global stability analysis for ternary mixtures by using a novel branch and bound algorithm: Application to UNIQUAC equation.INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,38(9),3549-3556.
MLA Zhu, YS,et al."Calculation of liquid-liquid equilibrium based on the global stability analysis for ternary mixtures by using a novel branch and bound algorithm: Application to UNIQUAC equation".INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 38.9(1999):3549-3556.
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