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Thermal behavior of disordered phase of caffeine molecular crystal: Insights from Monte Carlo simulation studies

โœ Scribed by Murugan, N. Arul; Sayeed, Ahmed

Book ID
120469800
Publisher
American Institute of Physics
Year
2009
Tongue
English
Weight
807 KB
Volume
130
Category
Article
ISSN
0021-9606

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Monte Carlo simulations for a simple model for liquid crystals in the bulk are presented. The model potential describes the anisotropy of the particles in the attractive part of the Lennard Jones-like pair interaction. Isotherms were calculated with constant-volume and constant-pressure simulations.