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Phase diagrams and thermochemical modeling of salt lake brine systems. I. LiCl+H2O system
Li, Dongdong1,2; Zeng, Dewen1,3; Han, Haijun1; Guo, Lijiang1; Yin, Xia4; Yao, Yan1
2015-12-01
发表期刊CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
卷号51页码:1-12
文章类型Article
摘要Salt lake brine chemical engineering involves the study of the solid-liquid equilibria of more than one hundred water-salt systems and approximately 70 solid salts over a wide temperature range. Prediction of the crystallization behavior of these complex systems as a function of temperature can only be achieved using a thermodynamic model. However, no systematic simulation studies have been reported for the complex salt lake brine systems, especially those systems containing the highly soluble salt LiCl. To complete this task, we plan to carry out a series of work. As the first part of the series of work, the Pitzer-Simonson-Clegg (PSC) model is selected to represent the thermodynamic properties of the LiCl+H2O system in the temperature range of 190 K to nearly 400 K. In this model's framework, the temperature dependence of the thermodynamic functions (entropy, enthalpy and Gibbs energy) of the aqueous species and solid phases are determined using their heat capacities, which serves to keep their inner thermodynamics consistent and confers a strong extrapolation ability. The comprehensive thermodynamic properties, i.e., water activity, mean ionic activity coefficient, enthalpy of dilution and solution, heat capacity and solubility, are used to evaluate the model parameters. The proposed parameter regression strategy has proven successful for the LiCl+H2O system. The present work forms a solid foundation for the simulation of thermochemical properties of other complicated salt lake brine systems. (C) 2015 Elsevier Ltd. All rights reserved.
关键词Phase Diagram Brine Modeling Pitzer-simonson-clegg Model Licl
WOS标题词Science & Technology ; Physical Sciences ; Technology
关键词[WOS]CHEMICAL-EQUILIBRIUM MODEL ; LITHIUM CHLORIDE-WATER ; THERMODYNAMIC PROPERTIES ; AQUEOUS-SOLUTIONS ; MINERAL SOLUBILITIES ; ACTIVITY-COEFFICIENTS ; NATURAL-WATERS ; OSMOTIC COEFFICIENTS ; HEAT-CAPACITIES ; VAPOR-PRESSURE
收录类别SCI
语种英语
WOS研究方向Thermodynamics ; Chemistry ; Materials Science ; Metallurgy & Metallurgical Engineering
WOS类目Thermodynamics ; Chemistry, Physical ; Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
WOS记录号WOS:000366790500001
引用统计
被引频次:11[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.isl.ac.cn/handle/363002/6285
专题青海盐湖研究所知识仓储
作者单位1.Chinese Acad Sci, Qinghai Inst Salt Lakes, Key Lab Salt Lake Resources & Chem, Xining 810008, Peoples R China
2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
3.Cent S Univ, Coll Chem & Chem Engn, Changsha 410083, Hunan, Peoples R China
4.Hunan Univ, Coll Chem & Chem Engn, Changsha 410082, Hunan, Peoples R China
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GB/T 7714
Li, Dongdong,Zeng, Dewen,Han, Haijun,et al. Phase diagrams and thermochemical modeling of salt lake brine systems. I. LiCl+H2O system[J]. CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY,2015,51:1-12.
APA Li, Dongdong,Zeng, Dewen,Han, Haijun,Guo, Lijiang,Yin, Xia,&Yao, Yan.(2015).Phase diagrams and thermochemical modeling of salt lake brine systems. I. LiCl+H2O system.CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY,51,1-12.
MLA Li, Dongdong,et al."Phase diagrams and thermochemical modeling of salt lake brine systems. I. LiCl+H2O system".CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY 51(2015):1-12.
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