Isobutyl acetate by reactive distillation. Part III. Conceptual design, simulation and optimization

Abstract This work studies the conceptual design of a Reactive Distillation (RD) process for isobutyl acetate production by esterification of acetic acid and isobutanol. Static and reactive residue curve map analyses were used to assess RD feasibility, and to identify suitable operating conditions for industrial implementation. The maps were obtained using validated phase equilibria and reaction kinetic models by coupling Aspen plus V.10 and Python. Afterwards, conceptual design outputs were used for a rigorous simulation and optimization of the process. The obtained results indicate that pure isobutyl acetate cannot be obtained as pure product from the RD column as it is a saddle node. However, isobutyl acetate can be obtained as bottom product at enough purity to fulfil urethane grade specifications. A final reactive distillation configuration was developed enabling to obtain almost complete reactants conversion, with a molar composition of isobutyl acetate > 99% wt. at the bottoms of the column. According to the optimal operating conditions, isobutyl acetate via RD can be produced under an energy intensity of 0.77 kW/kgIbAC, a mass intensity of 1.16 kgreactants/kgIbAC, a productivity of 328.7 kgIbAC/m3h, and a production cost of 0.98 USD/ kgIbAC.