Thermodynamic description of the AgCl-CoCl2-InCl3-NaCl system

doi:10.1016/j.jallcom.2015.12.104

CAS OpenIR > 中科院上海应用物理研究所2011-2018年

	Thermodynamic description of the AgCl-CoCl2-InCl3-NaCl system
	Wang, K; Robelin, C; Wu, Z; Li, CH; Xie, LD; Chartrand, P; Wang, K (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China.
	2016
发表期刊	JOURNAL OF ALLOYS AND COMPOUNDS
ISSN	0925-8388
卷号	663 期号:-页码:885—898
文章类型	期刊文献
摘要	Critical thermodynamic evaluations and optimizations of the AgCl-CoCl2, AgCl-InCl3, AgCl-NaCl, InCl3-NaCl and CoCl2-InCl3 systems were carried out in the present work within the framework of the CALPHAD approach. The molten salt phase was described by the Modified Quasi-chemical Model, while the Compound Energy Formalism with various lattice ratios was used to treat the terminal solid solutions. The two binary double salts (Na3InCl6 and Ag3InCl6) were treated as the stoichiometric compounds of which Gibbs energies were modelled following the Neumann-Kopp rule. All the model parameters were optimized in terms of the required phase equilibria and thermochemical data arising from experimental measurements and theoretical predictions (First-principles method and empirical equation). A set of self-consistent thermodynamic database for the AgCl-CoCl2-InCl3-NaCl quaternary system was finally derived by merging the Gibbs energies for relevant phases in all binary systems (model parameters of CoCl2-NaCl were adopted from the literature) based upon the Kohler-Toop interpolation technique in order to facilely calculate various phase equilibria and thermodynamic properties of the sub-ternary and quaternary systems. The calculated results involving multicomponent systems will support beneficial instructions in the related industrial processes. (C) 2015 Elsevier B.V. All rights reserved.
关键词	Electromotive Force Measurements Compound Energy Formalism Liquid-mixtures Silver Chloride Sodium Chloride Solid Solutions Halide-systems Agcl-nacl Molten Enthalpies
DOI	10.1016/j.jallcom.2015.12.104
收录类别	SCI
语种	英语
WOS记录号	WOS:000369060200118
引用统计	被引频次：4[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.sinap.ac.cn/handle/331007/25874
专题	中科院上海应用物理研究所2011-2018年
通讯作者	Wang, K (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China.
推荐引用方式 GB/T 7714	Wang, K,Robelin, C,Wu, Z,et al. Thermodynamic description of the AgCl-CoCl2-InCl3-NaCl system[J]. JOURNAL OF ALLOYS AND COMPOUNDS,2016,663(-):885—898.
APA	Wang, K.,Robelin, C.,Wu, Z.,Li, CH.,Xie, LD.,...&Wang, K .(2016).Thermodynamic description of the AgCl-CoCl2-InCl3-NaCl system.JOURNAL OF ALLOYS AND COMPOUNDS,663(-),885—898.
MLA	Wang, K,et al."Thermodynamic description of the AgCl-CoCl2-InCl3-NaCl system".JOURNAL OF ALLOYS AND COMPOUNDS 663.-(2016):885—898.

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