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2011-2019年

	Thermodynamic modeling of the GdF3-MF (M: Li, K, Rb, Cs) systems
	Li, X; Wang, K; Xie, LD
	2017
Source Publication	FLUID PHASE EQUILIBRIA
ISSN	0378-3812
Volume	449 Issue:-Pages:18-27
Subtype	期刊论文
Abstract	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.
Keyword	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
Indexed By	SCI
WOS Keyword	MOLTEN-SALT REACTOR ; CRYSTAL-STRUCTURE ; ALKALI FLUORIDES ; LIQUID-MIXTURES ; PHASE-DIAGRAMS ; BINARY-SYSTEMS ; THERMOCHEMISTRY ; CHEMISTRY ; M=K ; NA
Language	英语
WOS ID	WOS:000407406100003
Citation statistics	Cited Times:2[WOS] [WOS Record] [Related Records in WOS]
Document Type	期刊论文
Identifier	http://ir.sinap.ac.cn/handle/331007/28877
Collection	中科院上海应用物理研究所2011-2019年
Recommended Citation 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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