ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
Associating Lennard-Jones (LJ) fluids have been studied at various densities, temperatures, and energies of association by simulation and theory. The association potential is modeled by a highly anisotropic square well. Monte Carlo simulations provide energy, pressure/density information and fraction of monomers. A simple theory is shown to be in good agreement with simulation results. Further, a prediction of the properties of diatomic LJ molecules is made and compared with simulation results.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.458711