Modelling the effects of reaction temperature and flow rate on the conversion of ethanol to 1,3-butadiene

A full factorial experimental design was performed to investigate the conversion of ethanol to 1,3-butadiene (1,3-BD), through manipulation of the reaction temperature and ethanol weight hourly space velocity. Reactions were carried out in presence of the catalyst K2O:ZrO2:ZnO/MgO-SiO2, prepared by co-precipitation methods. Mathematical models were developed to correlate observed product selectivities, 1,3-BD yields and productivities with the manipulated reaction variables, allowing for quantification of variable effects on catalyst activity and assessment of the kinetic mechanism. Obtained 1,3-BD productivities were as high as 0.5 gBD/gcat.h, with 1,3-BD yields of 27 %. Results suggest that acetaldehyde condensation is the rate determining step.