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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, Dongdong1; Gao, Dandan1,3; Zeng, Dewen1,2,4; Li, Wu1,2
2017-10-01
发表期刊JOURNAL OF SOLUTION CHEMISTRY
卷号46期号:9-10页码:1871-1902
文章类型Article
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.
关键词Kcl + Rbcl + H2o Solid Solution Vegard's Rule Atomistic Simulation Thermodynamic Modeling
WOS标题词Science & Technology ; Physical Sciences
关键词[WOS]METASTABLE PHASE-EQUILIBRIA ; ALKALI-HALIDE SYSTEMS ; TERNARY-SYSTEMS ; DOUBLE-SALTS ; THERMODYNAMIC PROPERTIES ; LIPPMANN DIAGRAMS ; 1ST PRINCIPLES ; VEGARDS LAW ; SOLUBILITY ; RUBIDIUM
收录类别SCI
语种英语
WOS研究方向Chemistry
WOS类目Chemistry, Physical
WOS记录号WOS:000413118800012
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
作者单位1.Chinese Acad Sci, Qinghai Inst Salt Lakes, Key Lab Comprehens & Highly Efficient Utilizat Sa, Xining 810008, Qinghai, Peoples R China
2.Key Lab Salt Lake Resources Chem Qinghai Prov, Xining 810008, Qinghai, Peoples R China
3.Qinghai Engn & Technol Res Ctr Comprehens Utiliza, Xining 810008, Qinghai, Peoples R China
4.Cent S Univ, Coll Chem & Chem Engn, Changsha 410083, Hunan, Peoples R China
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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.
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