Simultaneous Bulk- and Surface-initiated Living Polymerization Studied with a Heterogeneous Stochastic Reaction Model

Jia-Shu Ma; Zhi-Ning Huang; Jia-Hao Li; Bang-Ping Jiang; Yan-Da Liao; Shi-Chen Ji; Xing-Can Shen

doi:10.1007/s10118-023-3033-0

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Simultaneous Bulk- and Surface-initiated Living Polymerization Studied with a Heterogeneous Stochastic Reaction Model

RESEARCH ARTICLE | Updated：2024-02-20

- Simultaneous Bulk- and Surface-initiated Living Polymerization Studied with a Heterogeneous Stochastic Reaction Model
- Chinese Journal of Polymer Science Vol. 42, Issue 3, Pages: 364-372(2024)
- Affiliations：
  
  a.State Key Laboratory for Chemistry and Molecular Engineering of Medicinal Resources, Key Laboratory for Chemistry and Molecular Engineering of Medicinal Resources (Ministry of Education of China), School of Chemistry and Pharmaceutical Sciences, Guangxi Normal University, Guilin 541004, China
  b.School of Computer Science and Engineering & School of Software, Guangxi Normal University, Guilin 541004, China
- Author bio：
  
  shichen.ji@mailbox.gxnu.edu.cn (S.C.J.)
  xcshen@mailbox.gxnu.edu.cn (X.C.S.)
- Funds：
- DOI：10.1007/s10118-023-3033-0
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Ma, J. S.; Huang, Z. N.; Li, J. H.; Jiang, B. P.; Liao, Y. D.; Ji, S. C.; Shen, X. C. Simultaneous bulk- and surface-initiated living polymerization studied with a heterogeneous stochastic reaction model. Chinese J. Polym. Sci. 2024, 42, 364–372

Jia-Shu Ma, Zhi-Ning Huang, Jia-Hao Li, et al. Simultaneous Bulk- and Surface-initiated Living Polymerization Studied with a Heterogeneous Stochastic Reaction Model. [J]. Chinese Journal of Polymer Science 42(3):364-372(2024)
Ma, J. S.; Huang, Z. N.; Li, J. H.; Jiang, B. P.; Liao, Y. D.; Ji, S. C.; Shen, X. C. Simultaneous bulk- and surface-initiated living polymerization studied with a heterogeneous stochastic reaction model. Chinese J. Polym. Sci. 2024, 42, 364–372 DOI： 10.1007/s10118-023-3033-0.

Jia-Shu Ma, Zhi-Ning Huang, Jia-Hao Li, et al. Simultaneous Bulk- and Surface-initiated Living Polymerization Studied with a Heterogeneous Stochastic Reaction Model. [J]. Chinese Journal of Polymer Science 42(3):364-372(2024) DOI： 10.1007/s10118-023-3033-0.

摘要

This study simulated simultaneous bulk- and surface-initiated polymerizations and confirmed that the equivalent assumption adopted in experiments is invalid. The heterogeneous stochastic reaction model provided validate information on properties like molecular weight distribution. It provides a new aspect to better understand the mechanism of surface-initiated polymerization via heterogeneous reaction environment.

Abstract

To better characterize the properties of surface-initiated polymers, simultaneous bulk- and surface-initiated polymerizations are usually carried out by assuming that the properties of the surface-initiated polymers resemble those of the bulk-initiated polymers. Through a Monte Carlo simulation using a heterogeneous stochastic reaction model, it was discovered that the bulk-initiated polymers exhibit a higher molecular weight and a lower dispersity than the corresponding surface-initiated polymers, which indicates that the equivalent assumption is invalid. Furthermore, the molecular weight distributions of the two types of polymers are also different, suggesting different polymerization mechanisms. The results can be simply explained by the heterogeneous distributions of reactants in the system. This study is helpful to better understand surface-initiated polymerization.

关键词

Keywords

Surface-initiated polymerizationPolymer brushStochastic reaction modelHeterogeneous polymerizationSimultaneous polymerization

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