Computer simulation of fluids using axisymmetric molecules
β Scribed by S. Gupta; W. B. Sediawan; C. P. Williams; E. McLaughlin
- Publisher
- Springer
- Year
- 1988
- Tongue
- English
- Weight
- 374 KB
- Volume
- 9
- Category
- Article
- ISSN
- 0195-928X
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π SIMILAR VOLUMES
Barker-Henderson type splitting of the intermolecular potential has been used to obtain a non-spherical reference potential for a perturbation theory of polar fluids. Monte Carlo simulations of the non-spherical reference fluid have been performed to obtain directly the reference fluid Helmholtz fre
The recently developed Tildesley/Streett molecular dynamics algorithm [l] for the motion of 256 atom-atom Lennard-Jones potentials is used to study the behaviour of five autocorrelation functions: linear and angular velocity, orientation, torque and force under the following conditions. (i) Increasi