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Lipschitz optimization for phase stability analysis: application to Soave-Redlich-Kwong equation of state
Alternative TitleFluid Phase Equilib.
Zhu, YS; Xu, ZH
1999-08-01
Source PublicationFLUID PHASE EQUILIBRIA
ISSN0378-3812
Volume162Issue:1-2Pages:19-29
AbstractThe Gibbs tangent plane analysis is the crucial method for the determination of the global phase stability and the true equilibrium compositions of the system at elevated pressures. Previous approaches have focused on finding stationary points of the tangent plane distance function (TPDF) described by the cubic equation of state. However, there is no complete guarantee of obtaining all stationary points due to the nonconvex and nonlinear nature of the models used to predict high pressure phase equilibria. After analyzing and reformulating the structure of the derivative function of the TPDF described by the Soave-Redlich-Kwong (SRK) equation of state, it was demonstrated that the Lipschitz constant of the TPDF can be obtained with the calculation precision satisfied. Then the phase stability problem can be solved with E-global convergence. The calculation results for two examples state that the Lipschitz optimization algorithm, i.e., Piyavskii's univariate Lipschitz optimization algorithm used in this paper, can obtain the global minimum of the TPDF for binary mixtures at elevated pressures with complete reliability. (C) 1999 Elsevier Science B.V. All rights reserved.; The Gibbs tangent plane analysis is the crucial method for the determination of the global phase stability and the true equilibrium compositions of the system at elevated pressures. Previous approaches have focused on finding stationary points of the tangent plane distance function (TPDF) described by the cubic equation of state. However, there is no complete guarantee of obtaining all stationary points due to the nonconvex and nonlinear nature of the models used to predict high pressure phase equilibria. After analyzing and reformulating the structure of the derivative function of the TPDF described by the Soave-Redlich-Kwong (SRK) equation of state, it was demonstrated that the Lipschitz constant of the TPDF can be obtained with the calculation precision satisfied. Then the phase stability problem can be solved with E-global convergence. The calculation results for two examples state that the Lipschitz optimization algorithm, i.e., Piyavskii's univariate Lipschitz optimization algorithm used in this paper, can obtain the global minimum of the TPDF for binary mixtures at elevated pressures with complete reliability. (C) 1999 Elsevier Science B.V. All rights reserved.
KeywordTangent Plane Analysis High Pressure Phase Equilibria Lipschitz Optimization Tpdf Gibbs Free Energy
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences ; Technology
URL查看原文
Indexed BySCI
Language英语
WOS KeywordCHEMICAL-EQUILIBRIUM PROBLEM ; GIBBS FREE-ENERGY ; GLOBAL OPTIMIZATION
WOS Research AreaThermodynamics ; Chemistry ; Engineering
WOS SubjectThermodynamics ; Chemistry, Physical ; Engineering, Chemical
WOS IDWOS:000081971500002
Citation statistics
Cited Times:20[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Version出版稿
Identifierhttp://ir.ipe.ac.cn/handle/122111/5984
Collection研究所(批量导入)
AffiliationChinese Acad Sci, Lab Comp Chem, Inst Chem Met, Beijing 100080, Peoples R China
Recommended Citation
GB/T 7714
Zhu, YS,Xu, ZH. Lipschitz optimization for phase stability analysis: application to Soave-Redlich-Kwong equation of state[J]. FLUID PHASE EQUILIBRIA,1999,162(1-2):19-29.
APA Zhu, YS,&Xu, ZH.(1999).Lipschitz optimization for phase stability analysis: application to Soave-Redlich-Kwong equation of state.FLUID PHASE EQUILIBRIA,162(1-2),19-29.
MLA Zhu, YS,et al."Lipschitz optimization for phase stability analysis: application to Soave-Redlich-Kwong equation of state".FLUID PHASE EQUILIBRIA 162.1-2(1999):19-29.
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