Kinetic Analysis and Optimization for the Catalytic Esterification Step of PPT Polymerization

Abstract

AbstractSummary: A well‐validated kinetic scheme has been studied for PPT, poly(propylene terephthalate) polymerization process in batch and semi‐batch mode with tetrabutoxytitanium (TBOT), a proven catalyst. Optimization study and analysis for PPT are rare, as the industrial relevance of PPT just became vibrant due to the commercial availability of one of its monomers in industrial scale in the recent past. Correctness of the analysis is checked by a new approach and parameters for the model are estimated from available experimental data. Solubility of terephthalic acid (TPA) is less in reaction medium and this effect is also considered along with the reaction scheme. Several simulations have been performed to see various process dynamics and this ultimately helps in formulating optimization problems. Using recently developed and well tested real‐coded non‐dominated sorting genetic algorithm‐II, a state‐of‐the art evolutionary optimization algorithm, a couple of three objective optimization problems have been solved and corresponding Pareto sets are presented. Results show remarkably promising aspects of productivity enhancement with an improvement in product quality. Sensitivity analysis for relatively uncertain solubility parameter is also performed to estimate its effect over the proposed optimal solutions.Multiobjective Pareto front for 3 objectives: degree of polymerization, time and (bTPA + bPG).imageMultiobjective Pareto front for 3 objectives: degree of polymerization, time and (bTPA + bPG).