Fluid of general hard triatomic molecules
Authors:
- 1 January 1983
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 48 (1) , 97-109
Abstract
The fluid of symmetric non-linear molecules with the valency angle θ = 105° and σB/σA = 0·6 has been studied at several densities by means of the Monte Carlo simulation method. The site-site correlation functions, G αβ, generalized harmonic coefficients Γ100 αβ, and the equation of state have been computed and compared with currently available theoretical results.Keywords
This publication has 18 references indexed in Scilit:
- Fluids of general hard triatomic moleculesMolecular Physics, 1982
- Equation of state of site-interaction fluids from the site–site correlation functionThe Journal of Chemical Physics, 1981
- Monte Carlo simulation results for the full pair correlation function of the hard dumbell fluidMolecular Physics, 1981
- Series representation of the equation of state for hard particle fluidsThe Journal of Chemical Physics, 1979
- Thermodynamic properties of pure hard sphere, spherocylinder and dumbell fluidsCollection of Czechoslovak Chemical Communications, 1979
- The spherical harmonic formalism for the thermodynamic properties of molecular fluidsChemical Physics, 1979
- Computer simulations of polyatomic molecules. III. Monte Carlo studies of heteronuclear and homonuclear hard diatomicsThe Journal of Chemical Physics, 1978
- Fluids of hard-core triatomic molecules. Computer simulations of polyatomic molecules. Part 4.—Monte Carlo simulations of hard-core triatomicsFaraday Discussions of the Chemical Society, 1978
- Statistical thermodynamics of interaction-site moleculesMolecular Physics, 1977
- Optimized Cluster Expansions for Classical Fluids. II. Theory of Molecular LiquidsThe Journal of Chemical Physics, 1972