Thermodynamic modeling of the GdF3-MF (M: Li, K, Rb, Cs) systems

doi:10.1016/j.fluid.2017.06.007

CAS OpenIR > 中科院上海应用物理研究所2011-2018年

	Thermodynamic modeling of the GdF3-MF (M: Li, K, Rb, Cs) systems
	Li, X; Wang, K; Xie, LD
	2017
发表期刊	FLUID PHASE EQUILIBRIA
ISSN	0378-3812
卷号	449 期号:-页码:18-27
文章类型	期刊论文
摘要	The phase equilibria and thermochemical data for the GdF3-MF (M: Li, K, Rb, Cs) binary systems were critically evaluated and optimized based upon the CALPHAD approach. Two kinds of models like associated and substitutional solution were used to describe the liquid phase where cations were apt to form short range order (SRO) and random mixing, respectively. All the intermediate compounds were treated as stoichiometric of which Gibbs energies comply with the Neumann-Kopp rule. Model parameters optimization for respective phases was conducted by the least squares minimization procedure with required input data available from experimental measurements and empirical predictions (ionic parameter function). Satisfactory agreements between all calculated results and experimental & predicted data were achieved which demonstrates that thermodynamic databases for the GdF3-MF (M: Li, K, Rb, Cs) binary systems were ultimately derived in the present work allowing safe extrapolation into multicomponent system for guiding relative industrial applications. (C) 2017 Published by Elsevier B.V.
关键词	Molten-salt Reactor Crystal-structure Alkali Fluorides Liquid-mixtures Phase-diagrams Binary-systems Thermochemistry Chemistry M=k Na
DOI	10.1016/j.fluid.2017.06.007
关键词[WOS]	MOLTEN-SALT REACTOR ; CRYSTAL-STRUCTURE ; ALKALI FLUORIDES ; LIQUID-MIXTURES ; PHASE-DIAGRAMS ; BINARY-SYSTEMS ; THERMOCHEMISTRY ; CHEMISTRY ; M=K ; NA
收录类别	SCI
语种	英语
WOS记录号	WOS:000407406100003
引用统计	被引频次：1[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/331007/28877
专题	中科院上海应用物理研究所2011-2018年
推荐引用方式 GB/T 7714	Li, X,Wang, K,Xie, LD. Thermodynamic modeling of the GdF3-MF (M: Li, K, Rb, Cs) systems[J]. FLUID PHASE EQUILIBRIA,2017,449(-):18-27.
APA	Li, X,Wang, K,&Xie, LD.(2017).Thermodynamic modeling of the GdF3-MF (M: Li, K, Rb, Cs) systems.FLUID PHASE EQUILIBRIA,449(-),18-27.
MLA	Li, X,et al."Thermodynamic modeling of the GdF3-MF (M: Li, K, Rb, Cs) systems".FLUID PHASE EQUILIBRIA 449.-(2017):18-27.

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