Abstract
Monte Carlo simulations of a variety of hard-particle liquids and liquid mixtures have been conducted in the isotropic liquid region of the phase diagram. The position- and orientation-dependent pairwise structure is computed and the results are compared with integral equation theories, allowing us to examine the closure relations, and evaluate their accuracy, in a direct fashion. The equation of state and stability properties of these phases relative to the nematic liquid crystal phase, are also discussed. © 2008 Elsevier B.V. All rights reserved.
Original language | English |
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Pages (from-to) | 61-65 |
Number of pages | 4 |
Journal | Computer Physics Communications |
Volume | 179 |
Issue number | 1-3 |
DOIs | |
Publication status | Published - Jul 2008 |
Keywords
- Bridge function
- Integral equations
- Molecular simulation
- Monte Carlo