Kinetic parameter estimation of solvent-free reactions: application to esterification of acetic anhydride by methanol

Green syntheses of biobased solvents

“…Acetic anhydride has also been used as an esterification agent to produce ethyl acetate and tert-butyl acetate [24,25] in a catalyst-free industrial process. This synthetic method provides a high conversion rate but leads to the formation of acetic acid, at the same time losing half the molecule of acetic anhydride, resulting in a poor AE (68%).…”

Intensification of Ester Production in a Continuous Reactor

“…Kinetics of the reaction is well-known for a long time (Rolfe et al, 1934, Hilton, 1939 and have recently received growing interest since the development of reactive distillation (Agreda et al, 1990, Pöpken et al, 2000, Bonaillie et al, 2001, Balland et al, 2002. Considering the heat generated, the reaction is assumed athermic.…”

Modeling of batch reactions with in situ spectroscopic measurements and calorimetry

“…If the hypotheses that the reaction solution is perfectly stirred and there is one homogeneous liquid phase [19] are assumed correct, then the major sources of heat flow in and out are: energy released or absorbed by the chemical reaction (V P np i¼1 ÁH i i ) energy input via the electrical heater (P w ) energy input from dosing (F in in C pin T in ) energy flow out of the solution across the reactor vessel wall (UAðT r À T j Þ)…”

“…Extending the model to include the temperature dependence of the rate constants means that even temperature changes do not require re-determination of the model. The model can also be easily extended to incorporate flow-in and flow-out of reagents [19].…”