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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
Source PublicationJOURNAL OF SOLUTION CHEMISTRY
Volume46Issue:9-10Pages:1871-1902
SubtypeArticle
AbstractThe 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.
KeywordKcl + Rbcl + H2o Solid Solution Vegard's Rule Atomistic Simulation Thermodynamic Modeling
WOS HeadingsScience & Technology ; Physical Sciences
WOS KeywordMETASTABLE PHASE-EQUILIBRIA ; ALKALI-HALIDE SYSTEMS ; TERNARY-SYSTEMS ; DOUBLE-SALTS ; THERMODYNAMIC PROPERTIES ; LIPPMANN DIAGRAMS ; 1ST PRINCIPLES ; VEGARDS LAW ; SOLUBILITY ; RUBIDIUM
Indexed BySCI
Language英语
WOS Research AreaChemistry
WOS SubjectChemistry, Physical
WOS IDWOS:000413118800012
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Document Type期刊论文
Identifierhttp://ir.isl.ac.cn/handle/363002/6265
Collection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
Affiliation1.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
Recommended Citation
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.
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