引用本文:
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.
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.
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.
Molecular Dynamics Studies of Collapse Stages in the chain folding process of Polyethylene
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.
English
Molecular Dynamics Studies of Collapse Stages in the chain folding process of Polyethylene
Abstract:
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.
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Key words:
- molecular dynamics simulation
- / polyethylene
- / chain folding
- / clusters
- / local collapse
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