Abstract
A treatment of the thermodynamics of mixed gas adsorption is presented in which the gas-solid interface is three dimensional. Such a treatment yields an additional term as compared to two dimensional approaches. This additional term has significant consequences for the derivation of adsorbed solution theories, particularly at higher temperatures.
Results are presented for a Grand Canonical Monte Carlo study of a model methane-ethane mixture in a carbonaceous slit pore. Comparison of single component and mixture results provides an unambiguous means of testing theories of adsorbed solutions and bears out the thermodynamic treatment presented in the previous section of the paper.
Article PDF
Similar content being viewed by others
Avoid common mistakes on your manuscript.
References
Allen, M.P. and D.J. Tildesley,Computer Simulation of Liquids OUP, Oxford, 1987.
Balbuena, P.B., D. Berry, and K.E. Gubbins, “Solvation Presures for Simple Fluids in Micropores,”J. Phys. Chem. 97, 937–943, (1993).
Costa, E.J.L., J.L. Sotelo, G. Calleja, and C. Marron, “Adsorption of Binary and Ternary Hydrocarbon Gas Mixtures on Activated Carbon; Experimental Determination and Theoretical Prediction of the Ternary Equilibrium Data,”AIChE J 27, 5–12, (1981).
Cracknell, R.F., D. Nicholson, and N. Quirke, “A Grand Canonical Monte Carlo Study of Lennard-Jones mixtures in slit shaped pores,”Mol. Phys. 80, 885–897, (1993).
Cracknell, R.F., D. Nicholson, and N. Quirke, “A Grand Canonical Monte Carlo study of Lennard-Jones mixtures in Slit Pores. 2: Mixtures of Two Centre Ethane with Methane,”Mol. Sim. 13, 161–173, (1994).
Finn, J.E. and P.A. Monson, “Monte Carlo Studies of Selective Adsorption on Solid Surfaces: Adsorption from Vapour Mixtures,”Mol. Phys. 72, 661–678, (1991).
Fischer, J., R. Lustig, H. Breitenfelder-Manske, and W. Lemming, “Influence of Intermolecular Potential Parameters on Orthobaric Properties of Fluids Consisting of Spherical and Linear Molecules,”Molec. Phys. 52, 485–497, (1984).
Gregg, S.J. and K.S.W. Sing,Adsorption, Surface Area, and Porosity Academic Press, New York, 1982.
Israelachvili, J.N.,Intermolecular and Surface Forces Academic Press, New York, 1992.
Kaneko, K., R.F. Caracknell, and D. Nicholson, “Nitrogen Adsorption in Slit Pores at Ambient Temperatures. Comparison of Simulation and Experiment,”Langmuir. in the press (1994).
Karavias, F. and A.L. Myers, “Monte Carlo Simulation of Binary Gas Adsorption in Zeolite Cavities,”Mol Sim 8, 51–72, (1991).
Keller, G.E. “Gas Adsorption Processes—State of the Art,”Industrial Gas Separations T.E. Whyte, C.M. Yon and E.H. Wagener, (eds), ACS Symp. Ser. NO 223, American Chemical Society, pp. 145–169, 1983.
Kierlik, E. and M.L. Rosinberg, “Density Functional Theory for Inhomogeneous Fluids: II Adsorption of Binary Mixtures,”Phys Rev A 44, 5025–5037, (1991).
Maddox, M.W. and J.S. Rowlinson, “Computer Simulation of a Fluid Mixture in Zeolite Y,”89, 3619–3621, 1993.
Myers, A.L. “Adsorption of Pure Gases and their Mixtures on Heterogeneous Surfaces,”Fundam. of Adsorption A. L. Myers and G. Belfort, (eds), pp. 365–381, Engng. Foundation, New York, 1984.
Myers, A.L. and J.M. Prausnitz, “Thermodynamics of Mixed-Gas Adsorption,”AIChE 11, 121–126 (1965).
Nicholson, D. and N.G. Parsonage, “Computer Simulation and the Statistical Mechanics of Adsorption,” Academic, New York, 1984.
Razmus, D.M. and C.K. Hall, “Prediction of Gas Adsorption in 5A Zeolites using Monte Carlo Simulation,”AIChE Journal 37, 769–775, (1991).
Rudisill, E.N. and M.D. Le Van, “Standard States for the adsorbed Solution Theory,”Chem. Eng. Sci. 47, 1239–1245, (1992).
Ruthven, D.M.,Principles of Adsorption and Adsorption Processes Wiley, New York, 1984.
Tan, Z. and K.E. Gubbins, “Selective Adsorption of Simple Mixtures in Slit Pores—A Model of Methane-Ethane Mixtures in Carbon.”J. Phys. Chem. 96, 845–854 (1992).
Sievers, W. and A. Mersmann, “Prediction of High Pressure Multi-component Equilibria,”Fundam. of Adsorption M. Suzuki, (ed), pp. 583–590 Kodansha, Tokyo, 1993.
Steele, W.A.The Interaction of Gases with Solid Surfaces Pergamon, Oxford, 1974.
Valenzuela, D.P., A.L. Myers, O. Talu, and I. Zwiebel, “Adsorption of Gas Mixtures—Effect of Energetic Heterogeneity,”AIChE J. 34, 397–402, (1988).
Van Ness, H.C. “Adsorption of Gases on Solids, Review of the Role of Thermodynamics,”Ind. Eng. Chem. Fund. 8, 464–473, (1969).
Young, D.M. and A.D. Crowell,Physical Adsorption of Gases Butterworths, London, 1962.
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Cracknell, R.F., Nicholson, D. Adsorption of gas mixtures on solid surfaces, theory and computer simulation. Adsorption 1, 7–16 (1995). https://doi.org/10.1007/BF00704142
Received:
Revised:
Accepted:
Issue Date:
DOI: https://doi.org/10.1007/BF00704142