Modelling of Consecutive Hydrogenation Reactions with Sorption and Mass Transfer Effects in a Stirred Tank Slurry System

Abstract

Some examples for modelling of competitive, consecutive hydrogenation reactions in a stirred tank slurry system are presented. Based on the assumption that chemical reactions obey the Langmuir-Hinshelwood theory with adsorption of hydrogen and organic species on different active sites of the catalyst’s surface, the influence of hydrogen absorption and external mass transfer of reaction components to the catalyst’s surface are discussed. Starting with the chemical surface reaction, models are developed for some special cases: when surface reaction and transport of hydrogen or substrate control the kinetics, and when surface kinetics and desorption of the intermediate product control the kinetics. In each case simulated conversion curves are compared with experimental data. The effects of the reaction conditions on the selectivity to the intermediate product, as postulated by these models, are discussed in detail.