Citation:
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
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The AB2 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 weight-average 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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Keywords:
- Hyperbranched polyesterification
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Xinxiu Yan , Xizhe Huang , Yangyang Liu , Weishang Jia , Hualin Chen , Qi Yao , Tao Chen . Hyperbranched polyamidoamine protective layer with phosphate and carboxyl groups for dendrite-free Zn metal anodes. Chinese Chemical Letters, 2024, 35(10): 109426-. doi: 10.1016/j.cclet.2023.109426
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