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Detailed Atomistic Molecular Dynamics Simulation of cis-1,4-Poly(butadiene)

✍ Scribed by Theodorou, Doros N.; Tsolou, Georgia; Mavrantzas, Vlasis G.

Book ID: 115531013
Publisher: American Chemical Society
Year: 2005
Tongue: English
Weight: 352 KB
Volume: 38
Category: Article
ISSN: 0024-9297
DOI: 10.1021/ma0491210

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## Abstract Summary: We present results for the temperature and pressure dependence of local structure and chain packing in __cis__‐1,4‐polybutadiene (__cis__‐1,4‐PB) from detailed molecular dynamics (MD) simulations with a united‐atom model. The simulations have been executed in the NPT statistica