Optimization of Process Variables in a Batch Reactor Using Simulation

Abstract

In chemical and pharmaceutical industries, consecutively reacting systems are very common where the end-product of interest is usually one or more of the intermediate products. The purpose of this work is to develop a mathematical model of a batch-cooker constant volume-reactor system that is undergoing a first-order reaction series (A → B → C). Analytical formulas for concentration versus time will be derived for both A, B, and C and numerically evaluated. Conversion profiles, intermediate accumulation and batch-time optimization are analyzed with the data from the analytical and numerical analyses to assess the effect of reaction kinetics and total reaction time on maximizing the overall (intermediate) yield. This work provides valuable information that can be applied to improve reactor design and operation.