Accession Number : ADD095207

Title :   Tables of Collision Integrals and Second Virial Coefficients for the (m,6,8) Intermolecular Potential Function.

Descriptive Note : Final rept.,

Corporate Author : NATIONAL STANDARD REFERENCE DATA SYSTEM

Personal Author(s) : Klein, Max ; Hanley, H J M ; Smith, Francis J ; Holland, Paul

Report Date : Jun 1974

Pagination or Media Count : 159

Abstract : Tables of collision integrals and second virial coefficients are presented for the (m,6,8) potential function. Ten values of the repulsive exponent m are included which range in unit steps from m=9 through m=18. Approximately 6 values of the parameter, gamma, associated with the inverse eighth power term, are included for each value of m. These tables are equivalent, therefore; to tables for 60 three parameter (m,6) potential functions. Comparisons of our results for m=12 and gamma=0 (corresponding to the (12,6) function) have been made with other calculations. Based on these comparisons, the accuracy of the present calculation appears to be at least two or three parts in 10,000 depending on the temperature. A table is included which contains the Boyle temperature, the Boyle volume, and the ratio of the intermolecular separation at the potential minimum to the separation at the zero of the potential.

Descriptors :   *MOLECULE MOLECULE INTERACTIONS, *COLLISIONS, *INTEGRALS, *TABLES(DATA), ACCURACY, FUNCTIONS, SEPARATION, COEFFICIENTS, VALUE, PARAMETERS

Subject Categories : Physical Chemistry

Distribution Statement : APPROVED FOR PUBLIC RELEASE