Lipschitz optimization for phase stability analysis: application to Soave-Redlich-Kwong equation of state
文献类型：期刊论文
| 作者 | Zhu, YS; Xu, ZH |
| 刊名 | FLUID PHASE EQUILIBRIA
 |
| 出版日期 | 1999-08-01 |
| 卷号 | 162期号:1-2页码:19-29 |
| 关键词 | tangent plane analysis high pressure phase equilibria Lipschitz optimization TPDF Gibbs free energy |
| ISSN号 | 0378-3812 |
| 其他题名 | Fluid Phase Equilib. |
| 中文摘要 | 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. |
| 英文摘要 | 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. |
| 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] | CHEMICAL-EQUILIBRIUM PROBLEM ; GIBBS FREE-ENERGY ; GLOBAL OPTIMIZATION |
| 收录类别 | SCI |
| 原文出处 | |
| 语种 | 英语 |
| WOS记录号 | WOS:000081971500002 |
| 公开日期 | 2013-11-15 |
| 版本 | 出版稿 |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/5984]  |
| 专题 | 过程工程研究所_研究所（批量导入） |
| 作者单位 | Chinese Acad Sci, Lab Comp Chem, Inst Chem Met, Beijing 100080, Peoples R China |
| 推荐引用方式 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. |
入库方式： OAI收割
来源：过程工程研究所
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