Vapor–Liquid and Chemical Equilibrium for Esterification of Acetic Acid + Isopropanol with [HSO3-bmim][HSO4] at 101.33 kPa

IF 1.4 4区化学 Q4 CHEMISTRY, PHYSICAL

Journal of Solution Chemistry Pub Date : 2023-08-06 DOI:10.1007/s10953-023-01311-1

Yimin Guo, Yun Zou, Kelei Huang, Qing Li, Zhangfa Tong

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引用次数: 0

Abstract

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 K_r was calculated. These results provided basic thermodynamic data for [HSO₃-bmim][HSO₄] as the catalyst for the esterification system of acetic acid with isopropanol.

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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

二元系统（水）的汽液平衡数据 + 乙酸、异丙醇 + 水和乙酸 + 乙酸异丙酯）和三元体系（水 + 乙酸 + 1-磺丁基-3-甲基咪唑鎓硫酸氢盐（离子液体，[HSO3-bmim][HSO4]），异丙醇 + 水+[HSO3-bmim][HSO4]和乙酸 + 乙酸异丙酯+[HSO3-bmim][HSO4]）在101.33kPa下测定。非随机双液（NRTL）模型与实验数据拟合良好。使用COSMO-RS模型计算了水、乙酸、异丙醇、乙酸异丙酯、[HSO3-bmim]+和[HSO4]−的σ-分布。此外，通过σ-谱分析了[HSO3-bmim][HSO4]离子液体与水、乙酸、异丙醇和乙酸异丙酯的结合能力。乙酸的化学平衡和相平衡数据 + 异丙醇和乙酸 + 测定了异丙醇+[HSO3-bmim][HSO4]体系的化学平衡常数Kr。这些结果为[HSO3-bmim][HSO4]作为乙酸与异丙醇酯化体系的催化剂提供了基本的热力学数据。

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来源期刊

Journal of Solution Chemistry 化学-物理化学

CiteScore

2.30

自引率

0.00%

发文量

审稿时长

3-8 weeks

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.