Kinetics of esterification of acetic acid with n-butanol over different homogeneous acid catalysts

IF 1.5 4区 化学 Q4 CHEMISTRY, PHYSICAL
Rakhi Soni, Ghoshna Jyoti
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引用次数: 0

Abstract

The esterification reaction of n-butanol and acetic acid has been performed in batch reactor in the presence of different homogeneous acid catalyst, namely sulfuric acid, nitric acid, and para toluene sulfonic acid (p-TSA). The objective of present research work is to investigate kinetic behavior of esterification reaction over the temperature range of 60°C–80°C. The effect of reaction parameter such as catalyst loading varied from 1% to 5% v/v and acid to alcohol molar ratio of 1:1, 1:3, and 1:5 has been observed. A pseudo homogeneous kinetic model has been applied. Kinetic parameters such as equilibrium constant, reaction rate constant, enthalpy, activation energy, and entropy were calculated by the experimental data for different acid catalyst system. It was observed that sulfuric acid gives higher conversion 73% than p-TSA 68.5% and nitric acid 66.25% at temperature of 80°C, 1:1 molar ratio and 3% catalyst concentration. The activation energy was estimated 36448.49, 23324.31 and 19060.156 J/mol K for three different catalyst sulfuric acid, nitric acid and p-TSA respectively. The enthalpy and entropy of the esterification reaction of acetic acid with n-butanol over three different catalysts has been calculated (Enthalpy: 25.788 KJ/mol, 12.256 KJ/mol, 28.320 KJ/mol, Entropy: 88.1 J/mol K, 45.298 J/mol K, 91.44 J/mol K) and found enthalpy is having positive value that shows reaction is endothermic.

醋酸与正丁醇在不同均相酸催化剂上的酯化动力学
正丁醇和乙酸的酯化反应是在间歇式反应器中,在不同均相酸催化剂(即硫酸、硝酸和对位甲苯磺酸(p-TSA))的存在下进行的。本研究工作的目的是研究酯化反应在 60°C-80°C 温度范围内的动力学行为。研究人员观察了反应参数的影响,如催化剂负载量从 1% 到 5% v/v,酸与醇的摩尔比为 1:1、1:3 和 1:5。应用了一个假均相动力学模型。根据不同酸催化剂体系的实验数据,计算出了平衡常数、反应速率常数、焓、活化能和熵等动力学参数。结果表明,在温度为 80°C、摩尔比为 1:1、催化剂浓度为 3% 的条件下,硫酸的转化率为 73%,高于 p-TSA 的 68.5% 和硝酸的 66.25%。三种不同催化剂硫酸、硝酸和 p-TSA 的活化能分别为 36448.49、23324.31 和 19060.156 J/mol K。计算了醋酸与正丁醇在三种不同催化剂上发生酯化反应的焓和熵(焓:25.788 KJ/mol、12.256 KJ/mol、28.320 KJ/mol,熵:88.1 J/mol K、45.298 J/mol K、91.44 J/mol K),发现焓为正值,表明反应是内热反应。
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来源期刊
CiteScore
3.30
自引率
6.70%
发文量
74
审稿时长
3 months
期刊介绍: As the leading archival journal devoted exclusively to chemical kinetics, the International Journal of Chemical Kinetics publishes original research in gas phase, condensed phase, and polymer reaction kinetics, as well as biochemical and surface kinetics. The Journal seeks to be the primary archive for careful experimental measurements of reaction kinetics, in both simple and complex systems. The Journal also presents new developments in applied theoretical kinetics and publishes large kinetic models, and the algorithms and estimates used in these models. These include methods for handling the large reaction networks important in biochemistry, catalysis, and free radical chemistry. In addition, the Journal explores such topics as the quantitative relationships between molecular structure and chemical reactivity, organic/inorganic chemistry and reaction mechanisms, and the reactive chemistry at interfaces.
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