A modified electrolyte-Uniquac model phase diagrams of electrolytes systems

被引：19
作者：
Messnaoui, B. [1 ]
Ouiazzane, S. [2 ]
Bouhaouss, A. [3 ]
Bounahmidi, T. [2 ]
机构：
[1] Univ Mohammed V Agdal, Rabat, Morocco
[2] Univ Mohammed V Agdal, Ecole Mohammadia Ingn, Lab Analy & Synth Procedes Ind, Rabat, Morocco
[3] Univ Mohammed 5, Fac Sci, Lab Chim Phys Gen Mat Nanomat & Environm, Rabat, Morocco
来源：
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY | 2008年 / 32卷 / 03期
关键词：
Activity coefficient; Osmotic coefficient; Solubility; Modelling; Electrolyte solutions;
D O I：
10.1016/j.calphad.2008.04.003
中图分类号：
O414.1 [热力学];
学科分类号：
摘要：
A modified electrolyte-Uniquac model describing the behaviour of single and multicomponent electrolyte systems was developed. The thermodynamic properties of electrolyte solutions are considered to be the sum of two contributions: the long-range represented by Debye-Huckel contributions and the local-composition expression (modified Uniquac type) that have been applied to account for short-range contributions. The local mole fractions are calculated based on the assumptions proposed by Chen and coworkers. The model has been tested on 86 aqueous electrolyte solutions at 298.15 K and results have been compared with those obtained from the Pitzer and electrolyte-NRTL models. The modified electrolyte-Uniquac model led to the accurate calculation of individual activity coefficient of ion. This new model can also be used to predict the excess properties and the salt solubility in aqueous multielectrolyte solutions with the interaction parameters obtained from binary data. (C) 2008 Elsevier Ltd. All rights reserved.
引用
收藏
页码：566 / 576
页数：11
相关论文
共 52 条
[1]   STATISTICAL THERMODYNAMICS OF LIQUID-MIXTURES - NEW EXPRESSION FOR EXCESS GIBBS ENERGY OF PARTLY OR COMPLETELY MISCIBLE SYSTEMS [J].
ABRAMS, DS ;
PRAUSNITZ, JM .
AICHE JOURNAL, 1975, 21 (01) :116-128
[2]   Isopiestic determination of the osmotic and activity coefficients of ZnSO4(aq) at T=298.15 K, and the standard potential of the electrochemical cell ZnHgx(two phase)|ZnSO4(aq)|PbSO4(s)|PbHgx(two phase) [J].
Albright, JG ;
Rard, JA ;
Serna, S ;
Summers, EE ;
Yang, MC .
JOURNAL OF CHEMICAL THERMODYNAMICS, 2000, 32 (11) :1447-1487
[3]  
[Anonymous], 1965, ELECT SOLUTIONS
[4]   AN NRTL MODEL FOR REPRESENTATION AND PREDICTION OF DEVIATION FROM IDEALITY IN ELECTROLYTE-SOLUTIONS COMPARED TO THE MODELS OF CHEN (1982) AND PITZER (1973) [J].
BALL, FX ;
FURST, W ;
RENON, H .
AICHE JOURNAL, 1985, 31 (03) :392-399
[5]   IONIC HYDRATION AND SINGLE ION ACTIVITIES IN UNASSOCIATED CHLORIDES AT HIGH IONIC STRENGTHS [J].
BATES, RG ;
STAPLES, BR ;
ROBINSON, RA .
ANALYTICAL CHEMISTRY, 1970, 42 (08) :867-&
[6]   THERMODYNAMIC PROPERTIES OF STRONG ELECTROLYTES IN AQUEOUS-SOLUTIONS [J].
BROMLEY, LA .
AICHE JOURNAL, 1973, 19 (02) :313-320
[7]   Calculation of the osmotic and activity functions in solutions of uni-univalent salts [J].
Bronsted, JN .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1922, 44 :938-948
[8]   LOCAL COMPOSITION MODEL FOR EXCESS GIBBS ENERGY OF ELECTROLYTE SYSTEMS .1. SINGLE SOLVENT, SINGLE COMPLETELY DISSOCIATED ELECTROLYTE SYSTEMS [J].
CHEN, CC ;
BRITT, HI ;
BOSTON, JF ;
EVANS, LB .
AICHE JOURNAL, 1982, 28 (04) :588-596
[9]   A LOCAL COMPOSITION MODEL FOR THE EXCESS GIBBS ENERGY OF AQUEOUS-ELECTROLYTE SYSTEMS [J].
CHEN, CC ;
EVANS, LB .
AICHE JOURNAL, 1986, 32 (03) :444-454
[10]   Thermodynamics of Multicomponent Electrolyte Solutions: Aqueous Mixtures of Two Salts from Among NaCl, KCl, NaH(2)PO(4), and KH(2)PO(4) at 25 degrees C [J].
Childs, C. W. ;
Downes, C. J. ;
Platford, R. F. .
JOURNAL OF SOLUTION CHEMISTRY, 1974, 3 (02) :139-147
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