文献类型：期刊文献

英文题名：A rigorous model for hydrogen response in industrial propylene polymerization loop reactors: From micro-mechanism to macro-behavior

作者：Zhang, Xixiang[1];Lu, Jingyi[1,2];Li, Shenjie[1];Tian, Zhou[1,2];Du, Wenli[1,2];Qian, Feng[1]

机构：[1]East China Univ Sci & Technol, State Key Lab Ind Control Technol, Shanghai 200237, Peoples R China;[2]Qingyuan Innovat Lab, Quanzhou 362801, Fujian, Peoples R China

年份：2025

卷号：301

外文期刊名：CHEMICAL ENGINEERING SCIENCE

收录：;EI(收录号：20243817061424);WOS:【SCI-EXPANDED(收录号:WOS:001317903100001)】；

基金：This work was supported by the National Key R & D Program of China (2022YFB3304903) , the National Key Research and Development Pro-gram of China (2023YFB3307800) , National Natural Science Founda-tion of China (62394343, 62394345) , Major Program of Qingyuan Innovation Laboratory (Grant No. 00122002) , Shanghai Committee of Science and Technology (NO. 23ZR1416000) .

语种：英文

外文关键词：Mathematical modeling; Propylene polymerization; Industrial loop reactor; Kinetic mechanism; Dormant-site theory; Hydrogen response

摘要：In spite of playing a chain transfer agent role, the hydrogen activation effect in propylene polymerization with Tibased Ziegler-Natta catalysts, so called "hydrogen response", is usually explained by the dormant-site theory in polymer chemistry. However, how the micro-mechanism at the catalyst site scale affects the macro-behavior of industrial processes is unrevealed. This work aims at developing a rigorous model that can accurately describe hydrogen response and predict polymer chain microstructure for an industrial propylene polymerization process consisting of loop reactors in series. The model is comprised of a kinetic model, a thermodynamic model, and a macroscopic non-ideal loop reactor model. To describe hydrogen response, an elaborated kinetic model is established based on a consistent dormant site reactivation mechanism assuming a multi-site model. The model predictions are in good agreement with plant data, after taking the dormant sites reactivated by hydrogen into account. The proposed model is capable of fully assessing the effects of various process conditions, during steadystate and grade transition processes, on the macro-behavior (i.e., production, slurry density) as well as polymer properties (i.e., melt flow index, molecular weight distribution) in the industrial loop reactors. The underlying correlations are also discussed.