Understanding the Solid Solution-Aqueous Solution Equilibria in the KCl + RbCl + H2O System from Experiments, Atomistic Simulation and Thermodynamic Modeling

doi:10.1007/s10953-017-0673-0

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	Understanding the Solid Solution-Aqueous Solution Equilibria in the KCl + RbCl + H2O System from Experiments, Atomistic Simulation and Thermodynamic Modeling
	Li, Dongdong; Gao, Dandan; Zeng, Dewen; Li, Wu
第一作者	Li, Dongdong
	2017-10
发表期刊	JOURNAL OF SOLUTION CHEMISTRY
ISSN	0095-9782
卷号	46 期号:9-10 页码:1871-1902
关键词	Kcl + Rbcl + H2o Solid Solution Vegard's Rule Atomistic Simulation Thermodynamic Modeling
摘要	The solid solution-aqueous solution (SSAS) equilibria in the KCl + RbCl + H2O system were redetermined at 298.15 K. The experimental data for (K,Rb)Cl were consistent with the formation of a continuous solid solution without miscibility gaps. The Schreinemakers' wet residues method and an XRD quantitative analysis technique based on the Vegard approach were applied to determine the chemical composition of the solid solution phase of (K,Rb)Cl. The compositions of (K,Rb)Cl derived from the Vegard approach are in accordance with those from the wet residues method. The thermodynamic properties of mixing of the (K,Rb)Cl solid solution were theoretically predicted using atomistic simulations. From these simulations, a regular solution behavior is recognized that is consistent with the knowledge of the thermodynamic properties of mixing of (K,Rb)Cl obtained from SSAS equilibrium studies, but the predicted regular solution model parameter A (0) is significantly larger than that regressed from the SSAS equilibrium data. Finally, a thermodynamic model was developed for representing the SSAS equilibria and element partitioning in the KCl + RbCl + H2O system as a function of temperature that can be used for predicting the SSAS equilibria in the studied system over the temperature range 273.15-373.15 K.
DOI	10.1007/s10953-017-0673-0
语种	英语
引用统计
文献类型	期刊论文
条目标识符	http://ir.isl.ac.cn/handle/363002/6265
专题	青海盐湖研究所知识仓储盐湖资源综合利用工程技术中心
推荐引用方式 GB/T 7714	Li, Dongdong,Gao, Dandan,Zeng, Dewen,et al. Understanding the Solid Solution-Aqueous Solution Equilibria in the KCl + RbCl + H2O System from Experiments, Atomistic Simulation and Thermodynamic Modeling[J]. JOURNAL OF SOLUTION CHEMISTRY,2017,46(9-10):1871-1902.
APA	Li, Dongdong,Gao, Dandan,Zeng, Dewen,&Li, Wu.(2017).Understanding the Solid Solution-Aqueous Solution Equilibria in the KCl + RbCl + H2O System from Experiments, Atomistic Simulation and Thermodynamic Modeling.JOURNAL OF SOLUTION CHEMISTRY,46(9-10),1871-1902.
MLA	Li, Dongdong,et al."Understanding the Solid Solution-Aqueous Solution Equilibria in the KCl + RbCl + H2O System from Experiments, Atomistic Simulation and Thermodynamic Modeling".JOURNAL OF SOLUTION CHEMISTRY 46.9-10(2017):1871-1902.