Understanding the Solid Solution-Aqueous Solution Equilibria in the KCl + RbCl + H2O System from Experiments, Atomistic Simulation and Thermodynamic Modeling
文献类型：期刊论文
| 作者 | Li, Dongdong1 ; Gao, Dandan1,3; Zeng, Dewen1,2,4; Li, Wu1,2
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| 刊名 | JOURNAL OF SOLUTION CHEMISTRY
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| 出版日期 | 2017-10-01 |
| 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 |
| 文献子类 | Article |
| 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. |
| WOS关键词 | METASTABLE PHASE-EQUILIBRIA ; ALKALI-HALIDE SYSTEMS ; TERNARY-SYSTEMS ; DOUBLE-SALTS ; THERMODYNAMIC PROPERTIES ; LIPPMANN DIAGRAMS ; 1ST PRINCIPLES ; VEGARDS LAW ; SOLUBILITY ; RUBIDIUM |
| WOS研究方向 | Chemistry |
| 语种 | 英语 |
| WOS记录号 | WOS:000413118800012 |
| 源URL | [http://ir.isl.ac.cn/handle/363002/6265]  |
| 专题 | 青海盐湖研究所_青海盐湖研究所知识仓储 青海盐湖研究所_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 |
| 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. |
入库方式： OAI收割
来源：青海盐湖研究所
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