Kinetic step-growth polymerization: A dissipative particle dynamics simulation study
作者：D. Xu, C.-Y. Ni, Y.-L. Zhu, Z.-Y. Lu, Y.-H. Xue, H. Liu
關鍵字：Kinetic step-growth polymerization
論文來源：期刊
具體來源：The Journal of Chemical Physics, 148, 2:024901 (2018)
發表時間：2018年
Kinetic step-growth polymerization is studied by dissipative particle dynamics coupled with our previously developed reaction algorithm on a coarse-grained level. The simulation result proves that this step-growth polymerization obeys the second-order reaction kinetics. We apply this algorithm to study the step-growth polymerization using the subunits with different flexibilities or within confinement. Good agreement of the number fraction distributions with the Flory distribution is obtained, implying that this algorithm is reasonable to describe such a kind of step-growth polymerization. This algorithm can further supply a convenient platform for simulating typical step-growth polymerization in reactive polymer systems.