tailieunhanh - Mathematical modeling of a continuous-flow packed-bed reactor with immobilized lipase for kinetic resolution of (R,S)-2-pentanol

In this study, the kinetic resolution of (R,S)-2-pentanol via transesterification to achieve S-2-pentanol, a key intermediate required in the synthesis of anti-Alzheimer drugs, was investigated in continuous-flow packed-bed reactors. The effects of residence time, substrate concentration, and operation time of the enzyme were investigated. Under steady state conditions, 50% conversion and enantiomeric excess of the substrate (eeS )>99% were achieved at a residence time of min. Productivity of the continuous-flow process ( mmol/min/g)was about 4 times higher than that of the corresponding batch process ( mmol/min/g). | Turkish Journal of Chemistry Turk J Chem 2020 44 1423-1429 http chem TÜBİTAK Research Article doi kim-1910-22 Mathematical modeling of a continuous-flow packed-bed reactor with immobilized lipase for kinetic resolution of R S -2-pentanol 1 2 1 1 Aslı SOYER MALYEMEZ Abdulwahab GIWA Emine BAYRAKTAR Ülkü MEHMETOĞLU 1 Department of Chemical Engineering Faculty of Engineering Ankara University Ankara Turkey 2 Chemical and Petroleum Engineering Department College of Engineering Afe Babalola University Afe Babalola Way Ado-Ekiti Ekiti State Nigeria Received Accepted Published Online Final Version Abstract In this study the kinetic resolution of R S -2-pentanol via transesterification to achieve S-2-pentanol a key intermediate required in the synthesis of anti-Alzheimer drugs was investigated in continuous-flow packed-bed reactors. The effects of residence time substrate concentration and operation time of the enzyme were investigated. Under steady state conditions 50 conversion and enantiomeric excess of the substrate eeS gt 99 were achieved at a residence time of min. Productivity of the continuous-flow process mmol min g was about 4 times higher than that of the corresponding batch process mmol min g . In addition the mathematical modeling of the packed-bed reactor was conductedusing an axial dispersion model. Ping Pong Bi Bi kinetics was used in this model. Design parameters were determined and the developed equations were solved using an algorithm for solving boundary value problems for ordinary differential equations by collocation bvp4c using MATLAB. The results obtained from the model fitted the experimental data very well. Key words R S -2-pentanol anti-Alzheimer drug intermediate mathematical modeling of a packed-bed reactor axial dispersion kinetic resolution 1. Introduction Optically pure secondary alcohols and their derivatives are widely used as building blocks in the chemical