Reliable computation of binary parameters in activity coefficient models for liquid-liquid equilibrium

被引：27

作者：

Simoni, Luke D. ^{[1
]}

Lin, Youdong ^{[1
]}

Brennecke, Joan F. ^{[1
]}

Stadtherr, Mark A. ^{[1
]}

机构：

[1] Univ Notre Dame, Dept Chem & Biomol Engn, Notre Dame, IN 46556 USA

来源：

FLUID PHASE EQUILIBRIA | 2007年 / 255卷 / 02期

基金：

美国海洋和大气管理局;

关键词：

parameter estimation; liquid-liquid equilibrium; NRTL; electrolyte-NRTL; ionic liquids;

D O I：

10.1016/j.fluid.2007.04.005

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

A method based on interval analysis is presented for determining parameter values from mutual solubility data in two-parameter activity coefficient models for liquid-liquid equilibrium. The method is mathematically and computationally guaranteed to locate all sets of parameter values corresponding to stable phase equilibria. The technique is demonstrated with examples using the NRTL and electrolyte-NRTL (eNRTL) models. In two of the NRTL examples, results are found that contradict previous work. In the eNRTL examples, binary systems of an ionic liquid and an alcohol are considered. This appears to be the first time that a method for parameter estimation in the eNRTL model from binary LLE data (mutual solubility) has been presented. (c) 2007 Elsevier B.V. All rights reserved.

引用

页码：138 / 146

页数：9

共 32 条

[21] ELECTROLYTES - FROM DILUTE-SOLUTIONS TO FUSED-SALTS [J].

PITZER, KS .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (09) :2902-2906

[22] LOCAL COMPOSITIONS IN THERMODYNAMIC EXCESS FUNCTIONS FOR LIQUID MIXTURES [J].

RENON, H ;

PRAUSNITZ, JM .

AICHE JOURNAL, 1968, 14 (01) :135-+

[23] ESTIMATION OF PARAMETERS FOR NRTL EQUATION FOR EXCESS GIBBS ENERGIES OF STRONGLY NONIDEAL LIQUID MIXTURES [J].

RENON, H ;

PRAUSNIT.JM .

INDUSTRIAL & ENGINEERING CHEMISTRY PROCESS DESIGN AND DEVELOPMENT, 1969, 8 (03) :413-&

[24]

Robinson R., 1959, Electrolyte Solutions

[25] Robust process simulation using interval methods [J].

Schnepper, CA ;

Stadtherr, MA .

COMPUTERS & CHEMICAL ENGINEERING, 1996, 20 (02) :187-199

[26] DIELECTRIC BEHAVIOR OF THE BINARY-MIXTURES OF NORMAL-HEXANE WITH TOLUENE, CHLOROBENZENE, AND 1-HEXANOL [J].

SINGH, RP ;

SINHA, CP .

JOURNAL OF CHEMICAL AND ENGINEERING DATA, 1982, 27 (03) :283-287

[27] The dielectric polarization of liquids. VI. Ethyl iodide, ethanol, normal-butanol and normal octanol [J].

Smyth, CP ;

Stoops, WN .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1929, 51 :3312-3329

[28]

Sorensen J.M., 1979, CHEM DATA SERIES 1, VV

[29]

STADTHERR MA, 1995, AICHE S SER, V91, P356

[30] Reliable phase stability analysis for excess Gibbs energy models [J].

Tessier, SR ;

Brennecke, JF ;

Stadtherr, MA .

CHEMICAL ENGINEERING SCIENCE, 2000, 55 (10) :1785-1796

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