ON THE EQUILIBRIUM STRUCTURE AND THERMODYNAMICS OF SIMPLE LIQUIDS
Abstract
The equilibrium structure and thermodynamics of a simple liquid is discussed. The particular system considered in our calculations is the Lennard- Jones liquid in which the intermolecular interaction is the pairwise additive 6- 12 potential. The potential is separated into two parts, a reference part containing all the repulsive forces and a perturbation containing all the attractive forces. (This separation is distinctly different from the often-used separation of the potential into positive and negative parts.) It was found that the effects of the two parts of the potential on the structure of the liquid are most easily discussed in terms of the structure factor (or equivalently, the Fourier transform of the pair-correlation function) rather than the pair-correlation function itself. On the basis of the results a very simple prescription is given for calculating the radial distribution function of a simple liquid at high densities which is more accurate than those obtained by any previously reported theory.
Document Details
- Document Type
- Technical Report
- Publication Date
- Jul 09, 1970
- Accession Number
- AD0708676
Entities
People
- David Chandler
- Hans C. Anderson
- John D. Weeks
Organizations
- University of California, San Diego