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优化一氧化碳响应性聚合物的合成：一种放大的动力学模型方法

Optimizing the Synthesis of CO-Responsive Polymers: A Kinetic Model Approach for Scaling Up.

作者信息

Pashayev Emil, Georgopanos Prokopios

机构信息

Helmholtz-Zentrum Geesthacht, Institute of Membrane Research, Max-Planck-Straße 1, 21502 Geesthacht, Germany.

出版信息

Polymers (Basel). 2025 Apr 20;17(8):1115. doi: 10.3390/polym17081115.

DOI:10.3390/polym17081115
PMID:40284380
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC12031492/
Abstract

The kinetic model is a crucial tool for optimizing polymer synthesis protocols and facilitating the scaled-up production processes of the CO-responsive polymer poly(N-[3-(dimethylamino)propyl]-acrylamide)-b-poly(methyl methacrylate)(PDMAPAm--PMMA), which is supposed to be implemented in direct air capture (DAC) technology. This study presents a simulation of the kinetic model developed for the Reversible Addition-Fragmentation Chain-Transfer (RAFT) polymerization of N-[3-(dimethylamino)propyl]-acrylamide (DMAPAm), alongside an investigation into the kinetics of this polymerization using the simulation as an analytical tool, as well as the application of the simulation for the upscaling of RAFT polymerization. Ultimately, the kinetic model was validated through two kinetic experiments, confirming its reliability. It was subsequently employed to optimize the synthesis recipe and to predict the properties of PDMAPAm homopolymers, thereby supporting the upscaling of PDMAPAm--PMMA diblock copolymer synthesis. In the end, the preliminary results of the CO-responsiveness of the diblock copolymer were determined with a simple experiment.

摘要

动力学模型是优化聚合物合成方案以及促进对CO有响应的聚合物聚（N-[3-(二甲基氨基)丙基]-丙烯酰胺）-b-聚（甲基丙烯酸甲酯）（PDMAPAm-b-PMMA）放大生产过程的关键工具，该聚合物有望应用于直接空气捕获（DAC）技术。本研究展示了为N-[3-(二甲基氨基)丙基]-丙烯酰胺（DMAPAm）的可逆加成-断裂链转移（RAFT）聚合开发的动力学模型的模拟，同时使用该模拟作为分析工具对该聚合反应的动力学进行了研究，以及该模拟在RAFT聚合放大中的应用。最终，通过两个动力学实验验证了动力学模型，证实了其可靠性。随后，该模型被用于优化合成配方并预测PDMAPAm均聚物的性能，从而支持PDMAPAm-b-PMMA二嵌段共聚物合成的放大。最后，通过一个简单实验确定了二嵌段共聚物的CO响应性初步结果。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1255/12031492/f0303f183a95/polymers-17-01115-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1255/12031492/17566cd59233/polymers-17-01115-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1255/12031492/c52eb9ae8051/polymers-17-01115-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1255/12031492/a65e5aeb7906/polymers-17-01115-sch001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1255/12031492/1fcb34f74db9/polymers-17-01115-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1255/12031492/cc6ecf46c5bd/polymers-17-01115-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1255/12031492/37dc061ffff3/polymers-17-01115-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1255/12031492/07840d0e031a/polymers-17-01115-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1255/12031492/85a23da5e8a6/polymers-17-01115-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1255/12031492/f0303f183a95/polymers-17-01115-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1255/12031492/17566cd59233/polymers-17-01115-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1255/12031492/c52eb9ae8051/polymers-17-01115-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1255/12031492/a65e5aeb7906/polymers-17-01115-sch001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1255/12031492/1fcb34f74db9/polymers-17-01115-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1255/12031492/cc6ecf46c5bd/polymers-17-01115-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1255/12031492/37dc061ffff3/polymers-17-01115-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1255/12031492/07840d0e031a/polymers-17-01115-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1255/12031492/85a23da5e8a6/polymers-17-01115-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1255/12031492/f0303f183a95/polymers-17-01115-g008.jpg

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