六元体系Li-Na-K-Mg-Cl-SO4-H2O多温相平衡预测

Prediction of Phase Equilibria of Li-Na-K-Mg-Cl-SO4-H2O System at Multiple Temperatures

中文关键词:  盐湖卤水  相平衡  扩展UNIQUAC模型  相平衡预测

英文关键词:Salt-lake brine  Phase equilibrium  UNIQUAC thermodynamic model  Computing phase diagram

中文摘要:

      采用基于扩展UNIQUAC模型的AQSOL027软件针对水盐体系Li-Na-K-Mg-Cl-SO₄-H₂O的六个五元子体系进行相平衡理论计算,首次报道了多个五元子体系在多个温度条件下的相图,将计算相图与已有实验相图以及基于其它热力学模型的计算相图进行了比较。结果表明:AQSOL027在相图计算中具有较好的准确性和可靠性。AQSOL027是一款基于Excel、用于计算复杂多温水—盐体系Li-Na-K-Mg-Ca-H-Cl-(HSO₄/SO₄)-(CO₂/HCO₃/CO₃)-(H₃BO₃/B₄O₇/BO₂)-OH-H₂O的计算机软件,集成了扩展UNIQUAC模型和相平衡算法,该软件可结合SysCAD和Aspen过程模拟器,实现盐田工艺过程的计算机辅助设计。

英文摘要:

      Based on the extended UNIQUAC model,phase equilibria of six quinary subsystems of the simplified water-salt system Li-Na-K-Mg-Cl-SO₄-H₂O were computed by using software AQSOL027.The computing phase diagrams were compared to experimental phase diagrams and computing phase diagrams with other thermodynamic models whenever they are available.The results showed that AQSOL027 was reasonably accurate and reliable in computing phase diagrams.Many phase diagrams of six quinary subsystems at multiple temperatures were reported first time.AQSOL027 is an Excel based computer software for Li-Na-K-Mg-Ca-H-Cl-(HSO₄/SO₄)-(CO₂/HCO₃/CO₃)-(H₃BO₃/B₄O₇/BO₂)-OH-H₂O integrating extended UNIQUAC thermodynamic model and equilibrium algorithm.The applications of AQSOL027 will further extended to computer assist design of salar processing combined with SysCAD process simulator.