Kinetics of lipase-mediated synthesis of butyl butyrate in n-hexane

This paper reports experimental and modeling work concerning alcoholysis reactions between butanol and ethyl butanoate, catalyzed by Lipozyme(TM) in n-hexane, using a batch stirred system at 60degreesC. Description of the reaction kinetics was based on a postulated multisubstrate Ping Pong Bi Bi mechanism, and appropriate rate expressions were derived for all components in the reaction medium. Simplified models were fitted by non-linear multiresponse regression analysis to data (experimental or calculated from mass balances, as appropriate) encompassing the concentrations of free butanol, ethyl butanoate, ethanol and butyl butanoate. Finally, incremental F-tests were performed to assess the simplest model form that was able to provide a statistically good fit throughout the entire reaction time frame.