Мақола

Modeling of Vapor-Liquid Equilibrium for Electrolyte Solutions Based on COSMO-RS Interaction

Weiping LiuCollege of Chemistry and Chemical Engineering, Instrumental Analysis Center of Qingdao University, Shandong Sino-Japanese Center for Collaborative Research of Carbon Nanomaterials, Collaborative Innovation Center for Marine Biomass Fiber Materials and Textiles, Laboratory of Fiber Materials and Modern Textile, Qingdao University, Qingdao 266071, Shandong, ChinaChun ZhaoQingdao Boting Hydrogen Age Ocean Technology R&D Center, Qingdao Boting Technology Co., Ltd, Qingdao 266100, Shandong, ChinaYu ZhouCollege of Chemistry and Chemical Engineering, Instrumental Analysis Center of Qingdao University, Shandong Sino-Japanese Center for Collaborative Research of Carbon Nanomaterials, Collaborative Innovation Center for Marine Biomass Fiber Materials and Textiles, Laboratory of Fiber Materials and Modern Textile, Qingdao University, Qingdao 266071, Shandong, ChinaXianzhen XuCollege of Chemistry and Chemical Engineering, Instrumental Analysis Center of Qingdao University, Shandong Sino-Japanese Center for Collaborative Research of Carbon Nanomaterials, Collaborative Innovation Center for Marine Biomass Fiber Materials and Textiles, Laboratory of Fiber Materials and Modern Textile, Qingdao University, Qingdao 266071, Shandong, China

2022en

ABI

Аннотация

The modeling of phase equilibrium for electrolyte solutions plays an important role in chemical thermodynamics. Modeling and calculation of the vapor-liquid equilibrium (VLE) for an electrolyte solution are studied in this paper. The influence mechanism for the microscopic interaction on the macroscopic VLE is further studied by COSMOtherm. Then, a developed model is proposed. The interaction parameters in the model are linked to the COSMO interaction energy (H_int). The interaction equations are remodeled using 1stopt software, and components are used to replace the “interaction parameters” used in a previous model. The developed model can be used to successfully predict VLE data for electrolyte solutions based on the α and hi parameters.

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Идентификаторлар

DOI: 10.1155/2022/9070055

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