Thermodynamic modeling and phase diagram prediction of salt lake brine systems. I. Aqueous Mg2+-Ca2+-Cl- binary and ternary systems

Huan Zhou; Xiaolong Gu; Yaping Dai; Jingjing Tang; Jian Guo; Guangbi Li; Xiaoqin Bai

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Thermodynamic modeling and phase diagram prediction of salt lake brine systems. I. Aqueous Mg²⁺-Ca²⁺-Cl^- binary and ternary systems

Chemical Engineering Thermodynamics | Updated：2026-01-06

- Thermodynamic modeling and phase diagram prediction of salt lake brine systems. I. Aqueous Mg²⁺-Ca²⁺-Cl^- binary and ternary systems
- Thermodynamic modeling and phase diagram prediction of salt lake brine systems. I. Aqueous Mg²⁺-Ca²⁺-Cl^- binary and ternary systems
- 中国化学工程学报（英文版） 2020年28卷第9期页码：2391-2408
- Affiliations：
  
  College of Chemical Engineering and Materials Science, Tianjin Key Laboratory of Marine Resources and Chemistry, Tianjin University of Science and Technology,Tianjin,China,300457
- Author bio：
- Funds：
  
  The authors gratefully thank the financial support of the National Natural Science Foundation of China (U1407204, U1707602) and also the Yangtze Scholars and Innovative Research Team in University of Education of China;the Innovative Research Team of Tianjin Municipal Education Commission (TD12-5004), and the Foundation of Tianjin Key Laboratory of Marine Resources and Chemistry (201602).
- DOI：
  中图分类号：
- 纸质出版：2020
- Accepted：
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Huan Zhou, Xiaolong Gu, Yaping Dai, 等. Thermodynamic modeling and phase diagram prediction of salt lake brine systems. I. Aqueous Mg²⁺-Ca²⁺-Cl^- binary and ternary systems[J]. 中国化学工程学报（英文版）, 2020,28(9):2391-2408.

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Huan Zhou, Xiaolong Gu, Yaping Dai, 等. Thermodynamic modeling and phase diagram prediction of salt lake brine systems. I. Aqueous Mg²⁺-Ca²⁺-Cl^- binary and ternary systems[J]. 中国化学工程学报（英文版）, 2020,28(9):2391-2408. DOI：

-Ca DOI：

摘要

Abstract

Salt lake brine is a complex salt-water system under natural environment. Although many models can express the thermodynamic properties and phase equilibrium of electrolyte aqueous solution

the multi-temperature characteristics and predictability are still the goals of model development. In this study

a comprehensive thermodynamic model system is re-established based on the eNRTL model and some improvements: (1) new expression of long-range electrostatic term with symmetrical reference state is proposed to handle the electrolyte solution covering entire concentration range; (2) the temperature dependence of the binary interaction parameters is formulated with a Gibbs Helmholtz expression containing three temperature coefficients

the liquid parameters

which associated with Gibbs energy

enthalpy

and heat capacity contribution; and (3) liquid parameters and solid species data are regressed from properties and solubility data at full temperature range. Together the activity coefficient model

property models and parameters of liquid and solid offer a comprehensive thermodynamic model system for the typical bittern of MgCl

-CaCl

-H

O binary and ternary systems

and it shows excellent agreement with the literature data for the ternary and binary systems. The successful prediction of complete phase diagram of ternary system shows that the model has the ability to deal with high concentration and high non-ideality system

and the ability to extrapolate the temperature.

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