INVESTIGATION OF SPECIFIC AB<sub>2</sub> TYPE HYPERBRANCHED POLYESTERIFICATION REACTION WITH MONTE CARLO SIMULATION

Long Wang; Xiao-mei Yang; Xue-hao He

doi:10.1007/s10118-013-1202-2

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INVESTIGATION OF SPECIFIC AB₂ TYPE HYPERBRANCHED POLYESTERIFICATION REACTION WITH MONTE CARLO SIMULATION

PAPER | Updated：2023-01-03

- INVESTIGATION OF SPECIFIC AB₂ TYPE HYPERBRANCHED POLYESTERIFICATION REACTION WITH MONTE CARLO SIMULATION
- Chinese Journal of Polymer Science Vol. 31, Issue 3, Pages: 371-376(2013)
- Affiliations：
  
  a.Department of Polymer Science and Engineering, School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072, China
  b.Department of Chemistry, School of Science, Tianjin University, Tianjin 300072, China
- Author bio：
  
  **Xue-hao He (何学浩), E-mail: xhhe@tju.edu.cn
- Funds：
- DOI：10.1007/s10118-013-1202-2
  CLC：
- Received：12 June 2012，
  
  Revised：2012-07-30，
  
  Accepted：07 August 2012，
  
  Published：2013-03
- Accepted：
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Long Wang, Xiao-mei Yang, Xue-hao He. INVESTIGATION OF SPECIFIC AB₂ TYPE HYPERBRANCHED POLYESTERIFICATION REACTION WITH MONTE CARLO SIMULATION[J]. Chinese Journal of Polymer Science, 2013, 31(3): 371-376. DOI: 10.1007/s10118-013-1202-2.
DOI：

Long Wang, Xiao-mei Yang, Xue-hao He. INVESTIGATION OF SPECIFIC AB₂ TYPE HYPERBRANCHED POLYESTERIFICATION REACTION WITH MONTE CARLO SIMULATION[J]. Chinese Journal of Polymer Science, 2013, 31(3): 371-376. DOI: 10.1007/s10118-013-1202-2. DOI：

摘要

Abstract

The AB

type bulk polymerization of 3

5-bis(trimethylsiloxy)benzoyl chloride is studied by the reactive 3d bond fluctuation lattice model (3d-BFLM). Through tuning the reactivity parameters

the experimental data are fitted well

via

an iterative dichotomy method. By using the optimized reactivity parameters

the number-average degree of polymerization and degree of branching obtained in simulation are very close to experimental data. Meanwhile

the information about the weightaverage degree of polymerization and the polydispersity index is provided

and the internal structural properties of hyperbranched polyesters are investigated. Simulation results demonstrate that the 3d-BFLM can be used to study specific hyperbranched polymerizations semi-quantitatively which is helpful to deep understand the kinetics of reactions and make predictions for specific polymerization systems.

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INVESTIGATION OF SPECIFIC AB2 TYPE HYPERBRANCHED POLYESTERIFICATION REACTION WITH MONTE CARLO SIMULATION

DOI：10.1007/s10118-013-1202-2

摘要

Abstract

关键词

Keywords

references

INVESTIGATION OF SPECIFIC AB₂ TYPE HYPERBRANCHED POLYESTERIFICATION REACTION WITH MONTE CARLO SIMULATION