Reaction Thermodynamic and Kinetics for Esterification of 1-Methoxy-2-Propanol and Acetic Acid over Ion-Exchange Resin.

Abstract

The esterification of 1-methoxy-2-propanol (PM) and acetic acid (AA) is an important reaction for the production of 1-methoxy-2-propyl acetate (PMA). Herein, we used the macroporous ion-exchange resin Amberlyst-35 as a catalyst to explore the effects of reaction conditions on the reaction rate and equilibrium yield of PMA. Under the optimized conditions of a reaction temperature of 353 K, using the initial reactant PM/AA with a molar ratio of 1:3, and a catalyst loading of 10 wt%, the PMA equilibrium yield reached 78%, which is the highest equilibrium yield so far. The reaction equilibrium constants and activity coefficients were estimated to obtain reaction thermodynamic properties, indicating the exothermicity of the reaction. Furthermore, pseudo-homogeneous (PH), Eley-Rideal (ER), and Langmuir-Hinshelwood-Hougen-Watson (LHHW) kinetic models were fitted based on experimental reaction kinetic data. The results demonstrate that the LHHW model is the most consistent with experimental data, indicating a surface reaction-controlled process and exhibiting an apparent activation energy of 62.0 ± 0.2 kJ/mol. This work represents a valuable example of calculating reaction thermodynamics and kinetics, which are particularly essential for promising industrial reactor designs.