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
刊名	JOURNAL OF SOLUTION CHEMISTRY
	2017-10
卷号	46 期号:9-10 页码:1871-1902
ISSN号	0095-9782
DOI	10.1007/s10953-017-0673-0
英文摘要	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.
内容类型	期刊论文
源URL	[http://ir.isl.ac.cn/handle/363002/34538]
专题	青海盐湖研究所_盐湖资源与化学实验室
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.