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A Simple Stochastic Reaction Model for Heterogeneous Polymerizations
The stochastic reaction model (SRM) treats polymerization as a pure probability‐based issue, which is widely applied to simulate various polymerization processes. However, in many studies, active centers were assumed to react with the same probability, which cannot reflect the heterogeneous reaction...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9414839/ https://www.ncbi.nlm.nih.gov/pubmed/36015526 http://dx.doi.org/10.3390/polym14163269 |
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author | Ma, Jiashu Li, Jiahao Yang, Bingbing Liu, Siwen Jiang, Bang-Ping Ji, Shichen Shen, Xing-Can |
author_facet | Ma, Jiashu Li, Jiahao Yang, Bingbing Liu, Siwen Jiang, Bang-Ping Ji, Shichen Shen, Xing-Can |
author_sort | Ma, Jiashu |
collection | PubMed |
description | The stochastic reaction model (SRM) treats polymerization as a pure probability‐based issue, which is widely applied to simulate various polymerization processes. However, in many studies, active centers were assumed to react with the same probability, which cannot reflect the heterogeneous reaction microenvironment in heterogeneous polymerizations. Recently, we have proposed a simple SRM, in which the reaction probability of an active center is directly determined by the local reaction microenvironment. In this paper, we compared this simple SRM with other SRMs by examining living polymerizations with randomly dispersed and spatially localized initiators. The results confirmed that the reaction microenvironment plays an important role in heterogeneous polymerizations. This simple SRM provides a good choice to simulate various polymerizations. |
format | Online Article Text |
id | pubmed-9414839 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-94148392022-08-27 A Simple Stochastic Reaction Model for Heterogeneous Polymerizations Ma, Jiashu Li, Jiahao Yang, Bingbing Liu, Siwen Jiang, Bang-Ping Ji, Shichen Shen, Xing-Can Polymers (Basel) Article The stochastic reaction model (SRM) treats polymerization as a pure probability‐based issue, which is widely applied to simulate various polymerization processes. However, in many studies, active centers were assumed to react with the same probability, which cannot reflect the heterogeneous reaction microenvironment in heterogeneous polymerizations. Recently, we have proposed a simple SRM, in which the reaction probability of an active center is directly determined by the local reaction microenvironment. In this paper, we compared this simple SRM with other SRMs by examining living polymerizations with randomly dispersed and spatially localized initiators. The results confirmed that the reaction microenvironment plays an important role in heterogeneous polymerizations. This simple SRM provides a good choice to simulate various polymerizations. MDPI 2022-08-11 /pmc/articles/PMC9414839/ /pubmed/36015526 http://dx.doi.org/10.3390/polym14163269 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Ma, Jiashu Li, Jiahao Yang, Bingbing Liu, Siwen Jiang, Bang-Ping Ji, Shichen Shen, Xing-Can A Simple Stochastic Reaction Model for Heterogeneous Polymerizations |
title | A Simple Stochastic Reaction Model for Heterogeneous Polymerizations |
title_full | A Simple Stochastic Reaction Model for Heterogeneous Polymerizations |
title_fullStr | A Simple Stochastic Reaction Model for Heterogeneous Polymerizations |
title_full_unstemmed | A Simple Stochastic Reaction Model for Heterogeneous Polymerizations |
title_short | A Simple Stochastic Reaction Model for Heterogeneous Polymerizations |
title_sort | simple stochastic reaction model for heterogeneous polymerizations |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9414839/ https://www.ncbi.nlm.nih.gov/pubmed/36015526 http://dx.doi.org/10.3390/polym14163269 |
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