Abstract
An algorithm is presented for calculation of the thermodynamic properties of a liquid whose molecules interact in accordance with a specified model potential, using the methods of perturbation theory.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
Literature cited
J. H. Barker and D. Henderson, “Theories of liquids,” Ann. Rev. Phys. Chem.,23, 439–488 (1972).
C. Crockston, Physics of the Liquid State [Russian translation], Mir, Moscow (1978).
L. Verlet and J. J. Weis, “Equilibrium theory of simple fluids,” Phys. Rev. A,5, No. 2, 939–952 (1969).
D. J. Adams, “Calculating the low-temperature vapor line by Monte Carlo,” Molec. Phys.,32, No. 3, 647–657 (1976).
J. P. Hansen and L. Verlet, “Phase transition of the Lennard-Jones system,” Phys. Rev.,184, No. 1, 151–161 (1969).
S. Sung and D. Chandler, “Perturbation theory for repulsive forces in classical fluids: selected applications,” J. Chem. Phys.,56, No. 10, 4989–4994 (1972).
T. Boblik, “Estimation of the excess thermodynamic functions of nonspherical molecule mixtures from the first-order perturbation theories,” 4-eme Conf. Int. Therm. Chim., Montpelier (1975), Vol. 5, pp 6–14.
L. P. Filippov, Similarity in the Properties of Materials [in Russian], Moscow State Univ. (1979).
L. P. Fillipov, “Methods for calculation and prediction of liquid and gas properties using thermodynamic similarity theory,” in: Reports on Thermophysical Properties of Materials [in Russian], No. 2, Izd. Akad. Nauk SSSR, Moscow (1977), pp. 3–141.
D. A. Tolstunov and L. P. Filippov, “Calculation and prediction of material properties. IV. Interaction of multiatomic molecules,” in: Physics and Physical Chemistry of Liquids [in Russian], 4th ed., Moscow State Univ. (1980), pp. 25–30.
D. D. Carley, “Theoretical thermodynamic functions for a Lennard-Jones system in the liquid and vapor region,” J. Chem. Phys.,69, No. 9, 4291–4297 (1978).
L. Verlet, “Integral equations for classical fluids. I. The hard sphere case,” Molec. Phys.,41, No. 1, 183–190 (1980).
J. J. Nicolas, K. E. Gubbins, W. B. Street, and D. J. Tildesley, “Equation of state for the Lennard-Jones fluid,” Molec. Phys.,37, No. 5, 1429–1454 (1979).
E. Thiele, “Equation of state for hard spheres,” J. Chem. Phys.,39, No. 2, 474–479 (1963).
M. S. Wertheim, “Exact solution of the Percus-Yevick integral equation for hard spheres,” Phys. Rev. Lett.,10, No. 8, 321–323 (1963).
G. A. Mansoori, J. A. Provine, and F. B. Canfield, “Note on the perturbation equation of state of Barker and Henderson,” J. Chem. Phys.,51, No. 12, 5295–5299 (1969).
V. I. Krylov, Approximate Calculation of Integrals [in Russian], Nauka, Moscow (1967).
Numerical Integration Procedures in the ALGOL Language [in Russian], Moscow State Univ. (1972).
N. B. Vargaftik, Handbook of Thermophysical Properties of Gases and Liquids [in Russian], Nauka, Moscow (1972).
Author information
Authors and Affiliations
Additional information
Translated from Inzhenerno-Fizicheskii Zhurnal, Vol. 43, No. 5, pp. 798–803, November, 1982.
Rights and permissions
About this article
Cite this article
Tolstunov, D.A. Study of multiatomic molecular interaction potentials in liquids using perturbation theory. 1. Calculation method and comparison of results with Lennard-Jones potential. Journal of Engineering Physics 43, 1263–1267 (1982). https://doi.org/10.1007/BF00826550
Received:
Issue Date:
DOI: https://doi.org/10.1007/BF00826550