Abstract:
Several kinds of Monte Carlo simulation algoithm and micro relaxation model for dense polymer systm have been inspected. The mean end to end distance of athermal polymer and the microphase structure of symmetrical diblock copolymer have been simulated by using free volume diffusion algorithm for bond fluctuation model. It is found that in the simulated results exist some discepancy if the reptation move mode of middle segment in free volume diffusion algorithm is taken or not. The mean end to end distance of polymer, scaling exponent and the thickness of layer for lamella diblock copolymer obtained from the simulation deleting the reptation of middle segment are larger than those from the simulation containing this move mode. These phenomena show that reptation move mode of middle segment may lead to over coil of the polymer chain.