Kinetics, mass transfer, and thermodynamics of Ethyl Hexanoate synthesis using heterogeneous catalyst

The present work delineates insight into the heterogeneous esterification of hexanoic acid to Ethyl Hexanoate. Efficacy was tested using Indion-225H and Amberlyst-15 as a catalyst. The effect of various process parameters such as mole ratio, temperature, catalyst loading, and speed of agitation was investigated for maximum ester conversion. A maximum yield of 81.31% was obtained in 4 h of reaction time at optimized values of 70 °C, 1:3, Hexanoic acid: Ethanol mole ratio, 12% catalyst loading, and 10% molecular sieves at an agitation speed of 300 rpm. The possibility of internal and external mass transfer resistance was evaluated. Effective diffusivity De-A was calculated as 3.58 × 10–11 m2/s. The energy of activation was calculated as 40.39 kJ mol-1. Kinetic and adsorption equilibrium constants were investigated for the LHHW model. Thermodynamic parameters such as enthalpy of activation, Gibbs free energy, and entropy of activation were predicted. Functional groups were confirmed using infrared spectroscopy. Esterification of Hexanoic acid and Ethanol was carried out in presence of cationic exchange resin; Amberlyst-15 to synthesize Ethyl Hexanoate. Functional groups were confirmed using FTIR spectroscopy. [Display omitted]