Mean First-Passage Times of Looping of Polymers with Intrachain Reactive Monomers: Lattice Monte Carlo Simulations
Mean First-Passage Times of Looping of Polymers with Intrachain Reactive Monomers: Lattice Monte Carlo Simulations
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DOI：
10.1021/ma060777y
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发表时间：
2006-07
期刊：
影响因子：
5.5
通讯作者：
Ting Cui;Jiandong Ding;Jeff Z. Y. Chen
中科院分区：
文献类型：
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作者：
Ting Cui;Jiandong Ding;Jeff Z. Y. Chen
使用蒙特卡罗模拟，我们研究了扩散控制的动力学的聚合物链，这导致两个反应性单体的链内反应。在键涨落晶格模型的基础上，我们计算了五种不同类型的聚合物结构的平均首次通过时间，并研究了其作为反应性单体的链长和位置的函数的标度行为。虽然模拟结果证实了以前的理论预测的自由链的情况下，我们的平均首次通过时间的测量也产生了新的见解的循环动力学的末端接枝链。
Using Monte Carlo simulations, we study the diffusion-controlled dynamics of a polymer chain, which leads to the intrachain reaction of two reactive monomers. On the basis of the bond fluctuation lattice model, we computed the mean first-passage time and examined its scaling behavior as a function of the chain length and location of the reactive monomers, for five different types of polymer architectures. While the simulation results confirmed previous theoretical predictions for the free chain case, our measurements of the mean first-passage time also yielded new insights into the looping dynamics of end-grafted chains.