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Selection of catalyst for the esterification step of the PPT polymerization process

机译：PPT聚合过程中酯化步骤的催化剂选择

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摘要

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 tives 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.
机译：TBOT是PPT聚合过程中酯化步骤的公认催化剂。先前的研究表明，TBOT的性能在增强聚合度和缩短加工时间方面表现优异。然而，尚未研究的一个有趣的方面是，对于不同的工艺目标，如副产物最小化和所需官能团的受控增长，任何其他催化剂是否都能提高工艺性能。本研究通过不同的优化操作集进行详细的过程分析，该过程主要包括寻找其他催化方案以改进过程。 PPT聚合过程中酯化步骤的动力学模型和先进的Real-Coded NSGA-II优化例程已得到充分验证。可以看出，考虑到所有工艺因素，例如聚合度的最大化，加工时间的最小化以及所需官能团的受控增长和副产物的最小化，Zn基催化剂可以替代传统的Ti基催化剂。还发现，在某些情况下，锡基催化剂能够与这两种催化剂竞争。

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