Dynamic Monte Carlo Simulation on Polymerization of Encapsulant

Jin Chen; Jiong-Hua Xiang

doi:10.1007/s10118-019-2176-5

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Dynamic Monte Carlo Simulation on Polymerization of Encapsulant

ARTICLE | Updated：2021-02-18

- Dynamic Monte Carlo Simulation on Polymerization of Encapsulant
- Dynamic Monte Carlo Simulation on Polymerization of Encapsulant
- Chinese Journal of Polymer Science 2019年37卷第2期页码：157-163
- Affiliations：
  
  a.Department of Physics, Research Institute for Soft Matter and Biominetics, Xiamen University, Xiamen 361005, China
  b.Department of Chemical Engineering, Shanghai Jiao Tong University, Shanghai 200240, China
- Author bio：
  
  chenjin@xmu.edu.cn
- Funds：
- DOI：10.1007/s10118-019-2176-5
  中图分类号：
- 收稿：2018-06-24，
  
  修回：2018-6-24，
  
  录用：2018-7-18，
  
  网络首发：2018-08-03，
  
  纸质出版：2019-02
- Accepted：
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Citation: Chen, J.; Xiang, J. H. Dynamic Monte Carlo simulation on polymerization of encapsulant. Chinese J. Polym. Sci. 2019, 37, 157–163

Jin Chen, Jiong-Hua Xiang. Dynamic Monte Carlo Simulation on Polymerization of Encapsulant[J]. Chinese Journal of Polymer Science, 2019, 37(2): 157-163.
Citation: Chen, J.; Xiang, J. H. Dynamic Monte Carlo simulation on polymerization of encapsulant. Chinese J. Polym. Sci. 2019, 37, 157–163 DOI： 10.1007/s10118-019-2176-5.

Jin Chen, Jiong-Hua Xiang. Dynamic Monte Carlo Simulation on Polymerization of Encapsulant[J]. Chinese Journal of Polymer Science, 2019, 37(2): 157-163. DOI： 10.1007/s10118-019-2176-5.

摘要

Abstract

Based on the preparative experiments of the light-emitting diode (LED) encapsulant

three types of monomer models with different functional groups are carried out to study the polymerization process by dynamic Monte Carlo (DMC) simulation and bond fluctuation model (BFM). We calculate the degree of polymerization

the radius of gyration and the frequency of void spheres to discuss the polymerization process

the molecular size and the spatial distribution at different volume fractions and proportions. Our results are in agreement with Grest’s decay rate and Flory’s scale law. Simulations show that the polymerization process depends on the appropriate volume fraction and proportion exceedingly

and the volume contraction in the polymerization process can also be observed in this study. These investigations could provide some insights into the understanding of the polymerization process of the encapsulant and help us to adjust the parameters in later experiments.

关键词

Keywords

references

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