Modeling of Vapor-Liquid Equilibrium for Electrolyte Solutions Based on COSMO-RS Interaction
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 macrosc...
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| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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Wiley
2022-01-01
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| Series: | Journal of Chemistry |
| Online Access: | http://dx.doi.org/10.1155/2022/9070055 |
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| _version_ | 1832568149796454400 |
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| author | Weiping Liu Chun Zhao Yu Zhou Xianzhen Xu |
| author_facet | Weiping Liu Chun Zhao Yu Zhou Xianzhen Xu |
| author_sort | Weiping Liu |
| collection | DOAJ |
| description | 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. |
| format | Article |
| id | doaj-art-71b0a30e21ee43c988db131901c2401e |
| institution | Kabale University |
| issn | 2090-9071 |
| language | English |
| publishDate | 2022-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Journal of Chemistry |
| spelling | doaj-art-71b0a30e21ee43c988db131901c2401e2025-02-03T00:59:36ZengWileyJournal of Chemistry2090-90712022-01-01202210.1155/2022/9070055Modeling of Vapor-Liquid Equilibrium for Electrolyte Solutions Based on COSMO-RS InteractionWeiping Liu0Chun Zhao1Yu Zhou2Xianzhen Xu3College of Chemistry and Chemical EngineeringQingdao Hengxing University of Science and TechnologyCollege of Chemistry and Chemical EngineeringCollege of Chemistry and Chemical EngineeringThe 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.http://dx.doi.org/10.1155/2022/9070055 |
| spellingShingle | Weiping Liu Chun Zhao Yu Zhou Xianzhen Xu Modeling of Vapor-Liquid Equilibrium for Electrolyte Solutions Based on COSMO-RS Interaction Journal of Chemistry |
| title | Modeling of Vapor-Liquid Equilibrium for Electrolyte Solutions Based on COSMO-RS Interaction |
| title_full | Modeling of Vapor-Liquid Equilibrium for Electrolyte Solutions Based on COSMO-RS Interaction |
| title_fullStr | Modeling of Vapor-Liquid Equilibrium for Electrolyte Solutions Based on COSMO-RS Interaction |
| title_full_unstemmed | Modeling of Vapor-Liquid Equilibrium for Electrolyte Solutions Based on COSMO-RS Interaction |
| title_short | Modeling of Vapor-Liquid Equilibrium for Electrolyte Solutions Based on COSMO-RS Interaction |
| title_sort | modeling of vapor liquid equilibrium for electrolyte solutions based on cosmo rs interaction |
| url | http://dx.doi.org/10.1155/2022/9070055 |
| work_keys_str_mv | AT weipingliu modelingofvaporliquidequilibriumforelectrolytesolutionsbasedoncosmorsinteraction AT chunzhao modelingofvaporliquidequilibriumforelectrolytesolutionsbasedoncosmorsinteraction AT yuzhou modelingofvaporliquidequilibriumforelectrolytesolutionsbasedoncosmorsinteraction AT xianzhenxu modelingofvaporliquidequilibriumforelectrolytesolutionsbasedoncosmorsinteraction |