Design and Optimization of a High Temperature Reactor for the Production of II-VI Compounds via Computer Models and Statistical Experimentation

Abstract

The purpose of this research was to design a high-temperature, vapor phase reactor for the production of Group II-VI compounds for specialty applications. There is a reactor in use by the sponsor, but it suffers from poor process control that inevitably results in low product yield and waste generation. The reactor is unique in that it is diffusion mass transfer limited, as opposed to kinetically controlled. This situation necessitated extensive computational fluid dynamic (CFD) modeling to produce a proposal for an improved design. The model entailed the adaptation of expressions to account for the undetermined kinetics, as well as empirical coefficients to adequately describe critical secondary flow phenomena within the reactor. A reactor design was proposed that fully addresses the technical and business hurdles posed by the process. The new reactor's operating and physical parameters were optimized via statistically designed experiments that were performed within the computer model. The product yield was maximized while achieving the desired batch output quantity and proper product distribution within the reactor. Additionally, functions were generated to allow for prediction of reactor performance across a range of input conditions.