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Selection of Catalyst for the Esterification Step of the PPT Polymerization Process
Author(s) -
Mitra Kishalay,
Majumdar Saptarshi
Publication year - 2006
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/mats.200600025
Subject(s) - catalysis , polymerization , maximization , process (computing) , process engineering , minification , materials science , computer science , pareto principle , polymer , chemistry , biological system , chemical engineering , mathematics , mathematical optimization , organic chemistry , engineering , composite material , biology , operating system
Summary: TBOT is a proven catalyst for the esterification step of the PPT polymerization process. Previous studies have shown that the performance of TBOT is superior in terms of the enhanced degree of polymerization and shorter processing time. However, one interesting aspect which has not yet been investigated is whether with different process objectives, like by‐product minimization and controlled growth of desired functional groups, any other catalyst offers any increase in process performance. The present study gives a detailed process analysis through different sets of optimized operations, which consists basically of searching for other catalytic options for process improvements. A well validated kinetic model for the esterification step of the PPT polymerization process and the advanced Real‐Coded NSGA‐II optimization routine have been used in this study. It can be seen that with all the process considerations, such as maximization of the degree of polymerization, minimization of processing time and the enhanced controlled growth of desired functional groups and minimization of by‐products, the Zn‐based catalyst can replace the conventional Ti‐based catalyst. An Sn‐based catalyst was also found to be able to compete with these two catalysts in some cases.Optimized Pareto plot for a study on the 4 objectives case for various catalysts. The Zn‐based catalyst outperforms the others.