Solubility of diazepam in water plus tert-butyl alcohol solvent mixtures: Part 2. Correlation using Scatchard-Hildebrand and combined Scatchard-Hildebrand/Flory-Huggins excess Gibbs energy models

被引:5
作者
Aman-Pommier, Fabrice [1 ]
Jallut, Christian [1 ]
机构
[1] Univ Claude Bernard Lyon 1, CNRS, LAGEP UMR 5007, 43 Blvd 11 Novembre 1918, F-69100 Villeurbanne, France
关键词
Diazepam; tert-butyl alcohol; Solubility; Excess Gibbs energy model; Thermodynamic correlation; CARBON-DIOXIDE; BENZOIC-ACID; THERMODYNAMICS; FORMULATIONS; PARAMETER; SELECTION; CRYSTALLIZATION; LYOPHILIZATION; HYDROCARBONS; INFORMATION;
D O I
10.1016/j.fluid.2017.11.011
中图分类号
O414.1 [热力学];
学科分类号
摘要
The aim of this work is to evaluate the performances of two excess Gibbs energy models, namely the Scatchard-Hildebrand model and the combined Scatchard-Hildebrand/Flory-Huggins model, in correlating the composition and temperature dependence of the solubility of diazepam in water + tert-butyl alcohol solvent mixtures. The dependence of the pure component properties required as input data to the models on temperature was considered as well as that of the adjustable binary interaction parameters. For this purpose, a set of twenty-seven model versions containing from three up to six adjustable parameters and differing from one another by the dependence of at least one binary interaction parameter on temperature was generated for the two excess Gibbs energy models investigated. To rank and weight among these different model versions, second-order Akaike's information criterion corrected for small sample size was used. The correlative performances of the most parsimonious versions of the Scatchard-Hildebrand and combined Scatchard-Hildebrand/Flory-Huggins models selected from this approach were then evaluated, compared and discussed. (C) 2017 Elsevier B.V. All rights reserved.
引用
收藏
页码:84 / 101
页数:18
相关论文
共 72 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]   EXTENDED HILDEBRAND APPROACH - SOLUBILITY OF CAFFEINE IN DIOXANE-WATER MIXTURES [J].
ADJEI, A ;
NEWBURGER, J ;
MARTIN, A .
JOURNAL OF PHARMACEUTICAL SCIENCES, 1980, 69 (06) :659-661
[3]  
Akaike H., 1973, 2 INT S INFORM THEOR, P267
[4]   Excess specific volume of water plus tert-butyl alcohol solvent mixtures: Experimental data, modeling and derived excess partial specific thermodynamic quantities [J].
Aman-Pommier, Fabrice ;
Jallut, Christian .
FLUID PHASE EQUILIBRIA, 2017, 439 :43-66
[5]   Solubility of diazepam in water plus tert-butyl alcohol solvent mixtures: Part 1. Experimental data and thermodynamic analysis [J].
Aman-Pommier, Fabrice ;
Degobert, Ghania ;
Jallut, Christian .
FLUID PHASE EQUILIBRIA, 2016, 408 :284-298
[6]  
[Anonymous], 2007, BIOTECHNOL PHARM ASP
[7]  
[Anonymous], 2002, Model selection and multimodel inference: a practical informationtheoretic approach
[8]  
[Anonymous], 2010, FREEZE DRYING LYOPHI
[9]  
[Anonymous], 2011, INT C HARM TECHN REQ
[10]  
[Anonymous], 1890, Z PHYS CHEM