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Estimation of the chemical potential of chain molecules by simulation

✍ Scribed by de Pablo, Juan J.; Laso, Manuel; Suter, Ulrich W.


Book ID
121211034
Publisher
American Institute of Physics
Year
1992
Tongue
English
Weight
726 KB
Volume
96
Category
Article
ISSN
0021-9606

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In the interests of carrying out computer simulations efficiently for systems of rodlike molecules, the model proposed by Berne and coworkers, in which each rod is represented by an anisotropic Lennard-Jones potential, was extensively compared with a site-site model. Using this potential, Monte Car1