摘要
Molecular dynamics simulations of model polyethylene chains with various lengths up to 4000 CH2 units were performed. Our results verified that the modification of force fields to demonstrate the collapse stages in the folding process is not necessary. The transition between the stages of chain folding became sharp, and the clusters became stable as the chain became longer.
Molecular dynamics simulations of model polyethylene chains with various lengths up to 4000 CH2 units were performed. Our results verified that the modification of force fields to demonstrate the collapse stages in the folding process is not necessary. The transition between the stages of chain folding became sharp, and the clusters became stable as the chain became longer.
