Citation: Jing Liu, Hai-Juan Kong, Yu Ma, Shu Zhu, Mu-Huo Yu. 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 shu

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

Jing Liu ^a ,
Hai-Juan Kong ^c ,
Yu Ma ^a,, ,
Shu Zhu ^a,b ,
Mu-Huo Yu ^a,,

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

Corresponding author: Yu Ma, yma@dhu.edu.cn Mu-Huo Yu, yumuhuo@dhu.edu.cn
Received Date: 7 August 2017
Accepted Date: 21 August 2017
Available Online: 11 January 2018

The conventional low-temperature method of solution polycondensation was developed to realize the reaction of p-phenylenediamin and terephthaloyl chloride for the preparation of poly(p-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, \begin{document}$ {\bar X_{\rm{n}}} \sim c_0^{ - 0.88} \cdot {t^{0.37}} $\end{document}, 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.
- Poly(p-phenylene terephthalamide),
- Molecular weight,
- Reaction kinetics,
- Molecular simulation
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