Molecular Simulation of the Osmotic Pressures for LiCl-NaCI-KCl-H2O Solution System

HX CHEN and SJ BIAN and B HU and W Li, CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE, 43, 124-135 (2022).

DOI: 10.7503/cjcu20210727

Salt Lake Brines contain large amount of lithium and potassium resources. Developing models and methods that predicts the osmotic pressures of brines shows significance in utilizing salt lake resources. Molecular dynamics(MD) technology equipped with osmotic pressure in aqueous solutions (OPAS) method were applied to study the prediction of osmotic pressures of LiCl-NaCl-KCl-H2O solution system. The computed results were compared with experimental and Pitzer model calculated data, and the data includes osmotic pressures of solutions of the same type and different concentrations and of the same concentration and different types. The results show that this approach is capable to calculated the osmotic pressures quantitively and semi-qualitatively for complex mixture systems.

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