Equation of state of chain molecules
- 1 July 1990
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 93 (1), 730-736
- https://doi.org/10.1063/1.459523
Abstract
The formerly proposed equation of state of fused hard‐sphere molecules is applied to evaluate the compressibility factor of systems of flexible chains. A fair agreement with the available Monte Carlo data is obtained. Next, the equation of state extended to mixtures is used to predict the P–V–T behavior of binary systems composed of simple hard‐body chains differing in the number of atoms in molecules. Good accordance of the calculated and pseudoexperimental values—within the experimental errors of the data—is obtained. To get further experimental data for pure chain molecules and their mixtures Monte Carlo simulations were performed for the system of linear tetraatomic molecules with the site–site length l*=1 and their equimolar mixtures with hard dumbbells at several densities. Comparison of the results for the linear tetraatomics with data on the corresponding flexible chain molecule system reveals a good agreement of the data. The proposed equation of state describes adequately the behavior of both the pure fluid and mixtures.Keywords
This publication has 24 references indexed in Scilit:
- Contribution of covalent bond force to pressure in polymer meltsThe Journal of Chemical Physics, 1989
- Equation of state of linear fused hard-sphere modelsMolecular Physics, 1989
- Phase equilibria of associating fluidsMolecular Physics, 1988
- High density Monte Carlo simulations of chain molecules: Bulk equation of state and density profile near wallsThe Journal of Chemical Physics, 1988
- Phase equilibria of associating fluidsMolecular Physics, 1988
- Fluids with highly directional attractive forces. IV. Equilibrium polymerizationJournal of Statistical Physics, 1986
- Fluids with highly directional attractive forces. III. Multiple attraction sitesJournal of Statistical Physics, 1986
- P-V-T behaviour of hard body fluids. Theory and experimentCollection of Czechoslovak Chemical Communications, 1986
- Fluids with highly directional attractive forces. I. Statistical thermodynamicsJournal of Statistical Physics, 1984
- THERMODYNAMIC PROPERTIES OF SOLUTIONS OF LONG‐CHAIN COMPOUNDSAnnals of the New York Academy of Sciences, 1942