Modelling the production of ethyl butyrate catalysed by Candida rugosa lipase immobilised in polyuretane foams

Abstract

Response surface methodology was used to model and optimise the esterification of ethanol with butyric acid in n-hexane, catalysed by Candida rugosa lipase immobilised in two hydrophilic polyurethane foams (“FHP 2002TM” and “FHP 5000TM”). Experiments were carried out following central composite rotatable designs (CCRD), as a function of the initial water activity of the biocatalyst (aw), initial butyric acid concentration (A) and ethanol:acid molar ratio (MR) in the organic medium. Ester production increased with increasing aw of the biocatalysts, probably due to the hydrophilicity of both substrates in contrast with the hydrophobicity of the product, which is released to the bulk medium. Thus, for each biocatalyst (aw = 0.98) another CCRD was performed as a function of A and MR. With both preparations, higher conversions (>95%) were observed for low A values. For the “FHP 2002TM” system, a maximum ester production of 0.23M is expected, after 18-h reaction, at initial 0.35M A and 1.51 MR, corresponding to aw of 0.95 and 0.84MA and 1.65Methanol in lipase microenvironment.With “FHP 5000TM” system, predicted initial conditions of 0.54M A and 0.75 MR (0.32M A; 0.75M ethanol in microenvironment; aw of 0.95), will lead to the maximum ester production of 0.27 M. These maxima were experimentally confirmed