Fluids of general hard triatomic molecules
Authors:
- 10 December 1982
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 47 (5) , 1087-1096
Abstract
The second, third, and fourth virial coefficients, Bi , of a fluid of general symmetric hard triatomic molecules (fused hard spheres) have been calculated both numerically and theoretically for a variety of potential parameters. It has been found that: (i) for B2 a valency angle ωc exists such that for ω>wc, B 2 is independent of ω, (ii) B 3 is very flat for ω>wc, and (iii) B 4 exhibits a maximum at ω∼π/2. Theoretical calculations employing an assigned convex body fit very well the second and fairly well the third virial coefficients, but fail for the fourth except in the case of a linear molecule.Keywords
This publication has 13 references indexed in Scilit:
- On the pair distribution function in fluids of hard non-spherical moleculesMolecular Physics, 1979
- Thermodynamic properties of pure hard sphere, spherocylinder and dumbell fluidsCollection of Czechoslovak Chemical Communications, 1979
- Equation of state for hard dumbbellsChemical Physics Letters, 1977
- Computer simulations of polyatomic molecules - I. Monte Carlo studies of hard diatomicsProceedings of the Royal Society of London. A. Mathematical and Physical Sciences, 1976
- Isotropic hard core dumbell fluid: Equation of stateChemical Physics Letters, 1975
- The equation of state of a system of hard spherocylindersMolecular Physics, 1974
- Statistical thermodynamics of convex molecule fluidsMolecular Physics, 1974
- Optimized Cluster Expansions for Classical Fluids. II. Theory of Molecular LiquidsThe Journal of Chemical Physics, 1972
- Virial Expansion for Hard Nonspherical MoleculesThe Journal of Chemical Physics, 1970
- Theory of High Polymer Solutions (The Dumbbell Model)The Journal of Chemical Physics, 1951