# Integral equation approaches to mixtures of atomic and molecular fluids

## Related Articles

- Structures and properties of hard sphere mixtures based on a self-consistent integral equation. Lee, Lloyd L.; Malijevsky, Anatol // Journal of Chemical Physics;4/22/2001, Vol. 114 Issue 16
A new self-consistent closure is formulated for the additive hard sphere mixtures at high densities (Î·=0.49) within the Ornstein-Zernike integral equation approach. Diameter ratios (Ïƒ[sub SS]/Ïƒ[sub BB]) from 0.3 to 0.9 and several compositions are examined. The consistencies include the...

- An investigation of metastable states of binary mixtures in the neighborhood of spinodal using the integral equation method. Fakhretdinov, I.; Zhdanov, E. // High Temperature;Sep2007, Vol. 45 Issue 5, p628
A generating functional is suggested for the purpose of producing a set of integral equations for radial distribution functions of binary mixtures in the neighborhood of stability limit, i.e., spinodal. This set of integral equations is used to derive an equation of state from which it follows...

- Symmetric mixtures of hard spheres with positively nonadditive diameters: An approximate analytic solution of the Percusâ€“Yevick integral equation. Gazzillo, Domenico // Journal of Chemical Physics;8/1/1987, Vol. 87 Issue 3, p1757
We study the properties of symmetric binary mixtures of hard spheres with positive nonadditive diameters Rij, namely two-component systems with R11=R22=R and R12>R, at equimolar concentration. The functional form of the direct correlation functions cij(r) is investigated, within the...

- Non-equilibrium One-temperature Reaction Rates. Kolesnichenko, Evgeniy G.; Gorbachev, Yuriy E. // AIP Conference Proceedings;2015, Vol. 1648 Issue 1, p1
Impact of the non-equilibrium on the reacting rates of the gas mixture is considered. Studies concerning reaction rate calculations are continued and focus is centred on solving corresponding integral equations using an expansion over various complete sets of polynomials and an analysis of the...

- Application of integral equation theories to the nitrogen molecule. Pádua, A. A. H.; Trusler, J. P. M. // Journal of Chemical Physics;10/8/1996, Vol. 105 Issue 14, p5956
The Percusâ€“Yevick (PY) and the hypernetted chain (HNC) integral equations have been applied to realistic, non-spherical, intermolecular potentials for nitrogen. Non-additive contributions, in the form of the Axilrodâ€“Teller three-body interaction, have been considered. The integral...

- Integral equation theory of polymer blends: Numerical investigation of molecular closure approximations. Yethiraj, Arun; Schweizer, Kenneth S. // Journal of Chemical Physics;6/1/1993, Vol. 98 Issue 11, p9080
The thermodynamics of symmetric polymer blends is investigated using the polymer reference interaction site model integral equation theory with the new molecular closures presented in the previous paper. In contrast to the atomic mean spherical approximation reported earlier by Schweizer and...

- Accurate integral equation theory for the central force model of liquid water and ionic solutions. Ichiye, Toshiko; Haymet, A. D. J. // Journal of Chemical Physics;10/1/1988, Vol. 89 Issue 7, p4315
The atomâ€“atom pair correlation functions and thermodynamics of the central force model of water, introduced by Lemberg, Stillinger, and Rahman, have been calculated accurately by an integral equation method which incorporates two new developments. First, a rapid new scheme has been used...

- A self-consistent integral equation study of the structure and thermodynamics of the penetrable sphere fluid. Fernaud, Maria-Jose; Lomba, Enrique; Lee, Lloyd L. // Journal of Chemical Physics;1/8/2000, Vol. 112 Issue 2
The penetrable sphere fluid consists of a system of spherical particles interacting via a potential that remains finite and constant for distances smaller than the particle diameter and is zero otherwise. This system, which was proposed sometime ago as a model for micelles in a solvent, has...

- Integral equation theory for dipolar hard sphere fluids with fluctuating orientational order. Klapp, S. H. L.; Patey, G. N. // Journal of Chemical Physics;2/22/2000, Vol. 112 Issue 8
We present an integral equation approach to the structural and thermodynamic properties of a fluid of partially aligned dipolar hard spheres. To relate the two-particle correlation functions to the anisotropic singlet density, we mainly employ the Lovett-Mou-Buff-Wertheim equation. We show that,...