Kinetics Analysis on the Polycondensation Process of Poly(<italic style="font-style: italic">p</italic>-phenylene terephthalamide): Experimental Verification and Molecular Simulation

Jing Liu; Hai-Juan Kong; Yu Ma; Shu Zhu; Mu-Huo Yu

doi:10.1007/s10118-018-2024-z

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Kinetics Analysis on the Polycondensation Process of Poly(p-phenylene terephthalamide): Experimental Verification and Molecular Simulation

Articles | Updated：2021-02-18

- Kinetics Analysis on the Polycondensation Process of Poly(p-phenylene terephthalamide): Experimental Verification and Molecular Simulation
- Chinese Journal of Polymer Science Vol. 36, Issue 5, Pages: 675-682(2018)
- Affiliations：
  
  a.State Key Laboratory for Modification of Chemical Fibers and Polymer Materials, College of Materials Science and Engineering, Donghua University, Shanghai 201620, China
  b.Key Laboratory of Shanghai City for Lightweight Composites, State Key Laboratory for Modification of Chemical Fibers and Polymer Materials, Donghua University, Shanghai 201620, China
  c.School of Materials Engineering, Shanghai University of Engineering Science, Shanghai 201620, China
- Author bio：
  
  Yu Ma, E-mail yma@dhu.edu.cn (Y.M.)
  Mu-Huo Yu, E-mail yumuhuo@dhu.edu.cn (M.H.Y)
- Funds：
- DOI：10.1007/s10118-018-2024-z
  CLC：
- Received：07 August 2017，
  
  Accepted：21 August 2017，
  
  Online First：11 January 2018，
  
  Published：05 May 2018
- Accepted：
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Jing Liu, Hai-Juan Kong, Yu Ma, et al. Kinetics Analysis on the Polycondensation Process of Poly(p-phenylene terephthalamide): Experimental Verification and Molecular Simulation[J]. Chinese Journal of Polymer Science, 2018, 36(5): 675-682. DOI: 10.1007/s10118-018-2024-z.
DOI：

Jing Liu, Hai-Juan Kong, Yu Ma, et al. Kinetics Analysis on the Polycondensation Process of Poly(p-phenylene terephthalamide): Experimental Verification and Molecular Simulation[J]. Chinese Journal of Polymer Science, 2018, 36(5): 675-682. DOI: 10.1007/s10118-018-2024-z. DOI：

摘要

Abstract

The conventional low-temperature method of solution polycondensation was developed to realize the reaction of

-phenylenediamin and terephthaloyl chloride for the preparation of poly(

-phenylene terephthalamide) (PPTA). Some main factors influencing this process were investigated to determine the optimum condition for high molecular weight. Experiment showed significant slowing of the reaction and gradual deviation of second-order reaction kinetics due to diffusion control. These phenomena were studied theoretically

via

dynamic Monte Carlo simulation. A concise expression

$$ {\bar X_{\rm{n}}} \sim c_0^{ - 0.88} \cdot {t^{0.37}} $$

was proposed to describe the diffusion-controlled polycondensation process as a function of the monomer concentration and reaction time. The theoretical results provided a good description of diffusion-effected kinetics for the polycondensation process of PPTA

and demonstrated good agreement with the experimental data. Some differences of scaling relations between model and experiment results were also discussed.

关键词

Keywords

references

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Kinetics Analysis on the Polycondensation Process of Poly(p-phenylene terephthalamide): Experimental Verification and Molecular Simulation

DOI：10.1007/s10118-018-2024-z

摘要

Abstract

关键词

Keywords

references