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Surface-initiated polymerization is one of the most promising polymer-grafting techniques for producing polymer brushes with high grafting density and providing ideal control on polymer architecture and chain length distribution. The surface-initiated polymerization with different initiator densities and different polymerization rates is investigated using coarse-grained molecular dynamics simulation method and a stochastic chain-growth polymerization model. This model has its applications in, for example, polymerization-induced phase separation, surface-initiated polymerization, and so on.
Model and methods:
where [M] is the free monomer concentration, [P*] is the concentration of growth centers in the system, and T is the reaction time interval.
 Y.-H. Xue, Y.-L. Zhu, W. Quan, F.-H. Qu, C. Han, J.-T. Fan, H. Liu, Phys. Chem. Chem. Phys., 15, 15356, 2013.