Grand ensemble Monte-Carlo studies of physical adsorption

A grand canonical ensemble, Monte Carlo method has been used to simulate 12-6 argon-like molecules in the potential field of a plane, uniform homogeneous solid. The adsorbent field was assumed to be entirely due to dispersion forces, and parameters corresponding to graphite were used. Thermodynamic equations appropriate for a multicomponent adsorption system in the grand ensemble are discussed. The methods for realization of the various parameters in a single component system are presented. Results have been obtained for temperatures of 80 and 120 K and mainly for coverages above a statistical monolayer. Isotherms, isosteric heats and other thermodynamic properties are presented and where possible compared with nearby experimental data.

[1]  D. Nicholson,et al.  Monte Carlo grand canonical ensemble calculation in a gas-liquid transition region for 12-6 Argon , 1975 .

[2]  E. J. Chapyak.  Equations Governing the Statistical Mechanical Distribution Functions of a Molecular Fluid Interacting with a Solid Boundary , 1972 .

[3]  C. S. Simmons,et al.  Rigorous Statistical Mechanics for Nonuniform Systems , 1972 .

[4]  K. Millard.  A Statistical Mechanical Approach to the Problem of a Fluid in an External Field , 1972 .

[5]  Egon Matijević,et al.  Surface and Colloid Science , 1971 .

[6]  田中 実,et al.  H.N.V. Temperley, J.S. Rowlinson and G.S.Rushbrooke 編: Physics of Simple Liquids, North-Holland Publ. Co., Amsterdam, 1968, (x+713)頁, 16×23cm, 12,960円. , 1969 .

[7]  Ian R. McDonald,et al.  Examination of the Adequacy of the 12–6 Potential for Liquid Argon by Means of Monte Carlo Calculations , 1969 .

[8]  John S. Rowlinson,et al.  Physics of simple liquids , 1968 .

[9]  J. A. Barker,et al.  Fifth Virial Coefficients , 1966 .

[10]  J. Lebowitz,et al.  Statistical Thermodynamics of Nonuniform Fluids , 1963 .

[11]  F. Stillinger,et al.  Equilibrium Statistical Mechanics of Inhomogeneous Fluids , 1962 .

[12]  T. L. Hill,et al.  Statistical Mechanics of Monatomic Systems in an External Periodic Potential Field. II. Distribution Function Theory for Fluids , 1961 .

[13]  W. Steele,et al.  Erratum: Distribution Functions of a Fluid in an External Potential Field. Application to Physical Adsorption , 1960 .

[14]  K. Pitzer,et al.  INTERACTIONS BETWEEN MOLECULES ADSORBED ON A SURFACE , 1960 .

[15]  C. F. Prenzlow,et al.  Argon-Xenon Layer Formation on Graphitized Carbon Black from 65 to 80°K , 1957 .

[16]  K. Denbigh,et al.  Thermodynamic Functions of Gases. : Edited by F. Din, Butterworths Scientific Publications, 1956. Vol I 175 p. + vi, Vol. II, 201 p. + vi. 63s. each volume. , 1956 .

[17]  S. Ono.  Application of Ursell and Mayer's Treatment for Imperfect Gases to Adsorption , 1950 .

[18]  H. S. Green,et al.  A general kinetic theory of liquids. IV. Quantum mechanics of fluids , 1947, Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences.

[19]  J. Frankel.  Kinetic theory of liquids , 1946 .