Molecular Dynamics Studies of Collapse Stages in the chain folding process of Polyethylene

• 出 处: Chinese Chemical Letters
• 发表日期: 1998年08期
• 关键词: folding Dawson Yamamoto

Molecular dynandcs 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 structure and molecular structure of 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.