Measurement of p-Toluenesulfonic Acid-Catalyzed Reaction Kinetics of 1,2-Propylene Glycol Acetylation Using In Situ1H NMR Spectroscopy

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• 作者：Arati Santhanakrishnan ; Lars Peereboom ; Dennis J. Miller ; Adina Dumitrascu ; Patrick B. Smith
• 刊名：Industrial & Engineering Chemistry Research
• 出版年：2013
• 出版时间：July 10, 2013
• 年：2013
• 卷：52
• 期：27
• 页码：9337-9342
• 全文大小：275K
• 年卷期：v.52,no.27(July 10, 2013)
• ISSN：1520-5045

文摘

The reaction kinetics for the acetylation of 1,2-propylene glycol (PG) catalyzed by p-toluenesulfonic acid (p-TSA) were determined using an in situ¹H NMR method. Both primary and secondary monoacetate esters of PG were observed as well as the diester. The reaction kinetics were characterized as a function of PG to acetic acid (AA) stoichiometry, p-TSA concentration, and temperature. The acetylation reactions and the transacetylation of the diester with PG were modeled as reversible second order reactions. Equilibrium constants were determined experimentally for each reaction. Activation energies for the consecutive acetylation of PG and PG monoacetate ester (PGMA) were 56 and 47 kJ/mol, respectively. The activation energy for intermolecular transacetylation of PG with its diacetate ester to form PG monoacetate was 63 kJ/mol.