{"title":"乙酸酯化反应的汽液平衡和化学平衡 + 101.33 kPa下具有[HSO3-bmim][HSO4]的异丙醇","authors":"Yimin Guo, Yun Zou, Kelei Huang, Qing Li, Zhangfa Tong","doi":"10.1007/s10953-023-01311-1","DOIUrl":null,"url":null,"abstract":"<div><p>Vapor–liquid equilibrium data of binary systems (water + acetic acid, isopropanol + water, and acetic acid + isopropyl acetate), and ternary systems (water + acetic acid + 1-sulfobutyl-3-methylimidazolium hydrogen sulfate (ionic liquid, [HSO<sub>3</sub>-bmim][HSO<sub>4</sub>]), isopropanol + water + [HSO<sub>3</sub>-bmim][HSO<sub>4</sub>], and acetic acid + isopropyl acetate + [HSO<sub>3</sub>-bmim][HSO<sub>4</sub>]) were determined at 101.33 kPa. The nonrandom two-liquid (NRTL) model fitted well with the experimental data. The σ-profiles of water, acetic acid, isopropanol, isopropyl acetate, [HSO<sub>3</sub>-bmim]<sup><b>+</b></sup>, and [HSO<sub>4</sub>]<sup><b>−</b></sup> were calculated using the COSMO-RS model. Furthermore, the binding abilities of [HSO<sub>3</sub>-bmim][HSO<sub>4</sub>] ionic liquid with water, acetic acid, isopropanol, and isopropyl acetate were analyzed by σ-profiles. The chemical and phase equilibrium data of acetic acid + isopropanol, and acetic acid + isopropanol + [HSO<sub>3</sub>-bmim][HSO<sub>4</sub>] systems were determined, meanwhile, the chemical equilibrium constant <i>K</i><sub>r</sub> was calculated. These results provided basic thermodynamic data for [HSO<sub>3</sub>-bmim][HSO<sub>4</sub>] as the catalyst for the esterification system of acetic acid with isopropanol.</p></div>","PeriodicalId":666,"journal":{"name":"Journal of Solution Chemistry","volume":"52 11","pages":"1209 - 1231"},"PeriodicalIF":1.4000,"publicationDate":"2023-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Vapor–Liquid and Chemical Equilibrium for Esterification of Acetic Acid + Isopropanol with [HSO3-bmim][HSO4] at 101.33 kPa\",\"authors\":\"Yimin Guo, Yun Zou, Kelei Huang, Qing Li, Zhangfa Tong\",\"doi\":\"10.1007/s10953-023-01311-1\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Vapor–liquid equilibrium data of binary systems (water + acetic acid, isopropanol + water, and acetic acid + isopropyl acetate), and ternary systems (water + acetic acid + 1-sulfobutyl-3-methylimidazolium hydrogen sulfate (ionic liquid, [HSO<sub>3</sub>-bmim][HSO<sub>4</sub>]), isopropanol + water + [HSO<sub>3</sub>-bmim][HSO<sub>4</sub>], and acetic acid + isopropyl acetate + [HSO<sub>3</sub>-bmim][HSO<sub>4</sub>]) were determined at 101.33 kPa. The nonrandom two-liquid (NRTL) model fitted well with the experimental data. The σ-profiles of water, acetic acid, isopropanol, isopropyl acetate, [HSO<sub>3</sub>-bmim]<sup><b>+</b></sup>, and [HSO<sub>4</sub>]<sup><b>−</b></sup> were calculated using the COSMO-RS model. Furthermore, the binding abilities of [HSO<sub>3</sub>-bmim][HSO<sub>4</sub>] ionic liquid with water, acetic acid, isopropanol, and isopropyl acetate were analyzed by σ-profiles. The chemical and phase equilibrium data of acetic acid + isopropanol, and acetic acid + isopropanol + [HSO<sub>3</sub>-bmim][HSO<sub>4</sub>] systems were determined, meanwhile, the chemical equilibrium constant <i>K</i><sub>r</sub> was calculated. These results provided basic thermodynamic data for [HSO<sub>3</sub>-bmim][HSO<sub>4</sub>] as the catalyst for the esterification system of acetic acid with isopropanol.</p></div>\",\"PeriodicalId\":666,\"journal\":{\"name\":\"Journal of Solution Chemistry\",\"volume\":\"52 11\",\"pages\":\"1209 - 1231\"},\"PeriodicalIF\":1.4000,\"publicationDate\":\"2023-08-06\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Solution Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://link.springer.com/article/10.1007/s10953-023-01311-1\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Solution Chemistry","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1007/s10953-023-01311-1","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Vapor–Liquid and Chemical Equilibrium for Esterification of Acetic Acid + Isopropanol with [HSO3-bmim][HSO4] at 101.33 kPa
Vapor–liquid equilibrium data of binary systems (water + acetic acid, isopropanol + water, and acetic acid + isopropyl acetate), and ternary systems (water + acetic acid + 1-sulfobutyl-3-methylimidazolium hydrogen sulfate (ionic liquid, [HSO3-bmim][HSO4]), isopropanol + water + [HSO3-bmim][HSO4], and acetic acid + isopropyl acetate + [HSO3-bmim][HSO4]) were determined at 101.33 kPa. The nonrandom two-liquid (NRTL) model fitted well with the experimental data. The σ-profiles of water, acetic acid, isopropanol, isopropyl acetate, [HSO3-bmim]+, and [HSO4]− were calculated using the COSMO-RS model. Furthermore, the binding abilities of [HSO3-bmim][HSO4] ionic liquid with water, acetic acid, isopropanol, and isopropyl acetate were analyzed by σ-profiles. The chemical and phase equilibrium data of acetic acid + isopropanol, and acetic acid + isopropanol + [HSO3-bmim][HSO4] systems were determined, meanwhile, the chemical equilibrium constant Kr was calculated. These results provided basic thermodynamic data for [HSO3-bmim][HSO4] as the catalyst for the esterification system of acetic acid with isopropanol.
期刊介绍:
Journal of Solution Chemistry offers a forum for research on the physical chemistry of liquid solutions in such fields as physical chemistry, chemical physics, molecular biology, statistical mechanics, biochemistry, and biophysics. The emphasis is on papers in which the solvent plays a dominant rather than incidental role. Featured topics include experimental investigations of the dielectric, spectroscopic, thermodynamic, transport, or relaxation properties of both electrolytes and nonelectrolytes in liquid solutions.