Accession Number : AD0660568

Title :   COMPUTER 'EXPERIMENTS' ON LENNARD-JONES MOLECULES. I. THERMODYNAMICAL PROPERTIES.

Descriptive Note : Preliminary rept.,

Corporate Author : YESHIVA UNIV NEW YORK BELFER GRADUATE SCHOOL OF SCIENCE

Personal Author(s) : Verlet,Loup

Report Date : 13 JUL 1966

Pagination or Media Count : 19

Abstract : It is shown, using Rahman's work (Phys. Rev. v136 pA405 1964) as a starting point, how it is possible to integrate the equations of matrix of about a thousand particles in a relatively easy way. The first application of this tool is the thermodynamic study of a fluid composed of atoms interacting through a Lennard-Jones potential. The result of this study is the overall agreement between the results thus obtained and the thermodynamics of real Argon. It is then to be hoped that a two-body potential can fit the experimental data with a large degree of success.

Descriptors :   (*MOLECULAR ASSOCIATION, THERMODYNAMICS), (*GASES, INTERACTIONS), STATISTICAL MECHANICS, PARTICLES, EQUATIONS OF MOTION, NUMERICAL INTEGRATION, POTENTIAL ENERGY, TEMPERATURE, PRESSURE, ARGON, ISOTOPES, COMPUTER PROGRAMS

Subject Categories : Fluid Mechanics
      Atomic and Molecular Physics and Spectroscopy
      Thermodynamics

Distribution Statement : APPROVED FOR PUBLIC RELEASE