Thermodynamic perturbation theory: Sticky chains and square-well chains
- 1 November 1993
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review E
- Vol. 48 (5), 3760-3765
- https://doi.org/10.1103/physreve.48.3760
Abstract
We extend Wertheim’s first-order thermodynamic perturbation theory [J. Chem. Phys. 87, 7323 (1987)] to sticky chains and square-well chains. The predicted compressibility factors for square-well chains are found to agree with Monte Carlo data. We demonstrate that the effect of chain connectivity is to reduce the attraction contributions to the compressibility factor and to the critical temperatures.Keywords
This publication has 24 references indexed in Scilit:
- Square-well chains: Bulk equation of state using perturbation theory and Monte Carlo simulations of the bulk pressure and of the density profiles near wallsThe Journal of Chemical Physics, 1991
- Equation of state for small, large, polydisperse, and associating moleculesIndustrial & Engineering Chemistry Research, 1990
- New reference equation of state for associating liquidsIndustrial & Engineering Chemistry Research, 1990
- Equation of state of chain moleculesThe Journal of Chemical Physics, 1990
- Percus-Yevick integral-equation theory for athermal hard-sphere chainsMolecular Physics, 1990
- A new equation of state for athermal chainsThe Journal of Chemical Physics, 1989
- Equation of state of polymer melts: Numerical results for athermal freely jointed chain fluidsThe Journal of Chemical Physics, 1988
- Equation of state of polymer melts: General formulation of a microscopic integral equation theoryThe Journal of Chemical Physics, 1988
- Thermodynamic perturbation theory of polymerizationThe Journal of Chemical Physics, 1987
- Equation of state for chain molecules: Continuous-space analog of Flory theoryThe Journal of Chemical Physics, 1986