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Molecular dynamics studies of collapse stages in the chain folding process of polyethylene
Liao, Q; Jin, XG
1998-08-01
Source PublicationCHINESE CHEMICAL LETTERS
ISSN1001-8417
Volume9Issue:8Pages:779-782
AbstractMolecular 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.
KeywordMolecular Dynamics Simulation Polyethylene Chain Folding Clusters Local Collapse
Indexed BySCI
Language英语
WOS IDWOS:000083722500027
PublisherCHINESE CHEMICAL SOCIETY
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Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/74484
Collection中国科学院化学研究所
AffiliationAcad Sinica, Inst Chem, Beijing 100080, Peoples R China
Recommended Citation
GB/T 7714
Liao, Q,Jin, XG. Molecular dynamics studies of collapse stages in the chain folding process of polyethylene[J]. CHINESE CHEMICAL LETTERS,1998,9(8):779-782.
APA Liao, Q,&Jin, XG.(1998).Molecular dynamics studies of collapse stages in the chain folding process of polyethylene.CHINESE CHEMICAL LETTERS,9(8),779-782.
MLA Liao, Q,et al."Molecular dynamics studies of collapse stages in the chain folding process of polyethylene".CHINESE CHEMICAL LETTERS 9.8(1998):779-782.
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