Citation: Qi LIAO, Xi Gao JIN. Molecular Dynamics Studies of Collapse Stages in the chain folding process of Polyethylene[J]. Chinese Chemical Letters, ;1998, 9(8): 779-782. shu

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

Qi LIAO ,
Xi Gao JIN

Institute of Chemistry Academia Sinica Beijing 100080

Received Date: 13 March 1998

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 simulation,
- polyethylene,
- chain folding,
- clusters,
- local collapse
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