Capillary Condensation: A Molecular Simulation Study

References

• Gregg , S. J. and Sing , K. S. W. 1982 . Adsorption, Surface Area and Porosity , 2nd, edn. , New York : Academic Press .
   Google Scholar
• Quirke , N. 1986 . “Molecular simulation: progress and prospects” . Fluid Phase Equil , 29 : 283
   Web of Science ®Google Scholar
• Lane , J. E. and Spurling , T. H. 1980 . “Monte Carlo simulation of the effects of adsorption on interparticle forces” . Aust. J. Chem. , 33 : 231
   Web of Science ®Google Scholar
• van Megen , W. and Snook , I. K. 1985 . “Physical adsorption of gases at high pressure III. Adsorption in slit-like pores” . Mol. Phys. , 54 : 741
   Web of Science ®Google Scholar
• Hawley , D. W. , Mac , J. M. D. , Elroy , J. , Hajduk , C. and Reed , X. B. 1985 . “Monte Carlo simulation of two interacting liquid/vapour interfaces” . Chem. Phys. Lett. , 117 : 154
   Google Scholar
• Peterson , B. K. , Walton , J. P. R. B. and Gubbins , K. E. 1985 . “Microscopic studies of fluids in pores: computer simulation and mean-field theory” . Int. J. Thermophys. , 6 : 585
   Web of Science ®Google Scholar
• Peterson , B. K. J. , Walton , P. R. B. and Gubbins , K. E. 1987 . “Fluid behaviour in narrow pores” . In Fundamentals of Adsorption , Edited by: Liapis , A. I. 463 New York : Engineering Foundation .
   Google Scholar
• Peterson , B. K. and Gubbins , K. E. 1987 . “Phase transitions in a cylindrical pore. Grand canonical Monte Carlo, mean field theory and the Kelvin equation” . Mol. Phys. , 62 : 215
   Web of Science ®Google Scholar
• Heffelfinger , G. S. , van Swol , F. and Gubbins , K. E. 1987 . “Liquid-vapour coexistence in a cylindrical pore” . Mol. Phys. , 61 : 1381
   Web of Science ®Google Scholar
• Panagiotopoulos , A. Z. 1987 . “Adsorption and capillary condensation of fluids in cylindrical pores by Monte Carlo simulation in the Gibbs ensemble” . Mol. Phys. , 62 : 701
   Web of Science ®Google Scholar
• Peterson , B. K. , Gubbins , K. E. , Heffelfinger , G. S. , Marini , U. , Bettolo , Marconi and van Swol , F. 1988 . “Lennard-Jones fluids in cylindrical pores: Nonlocal theory and computer simulation” . J. Chem. Phys. , 88 : 6487
   Web of Science ®Google Scholar
• Nicholson , D. 1975 . “Molecular theory of adsorption in pore spaces. Part 1.- Isotherms for simple lattice models” . J. Chem. Soc. Faraday Trans. I , 71 : 238
   Google Scholar
• Nicholson , D. 1976 . “Molecular theory of adsorption in pore spaces. Part 2.- Thermodynamic and molecular lattice model descriptions of capillary condensation” . J. Chem. Soc. Faraday Trans. I , 72 : 29
   Google Scholar
• Fisher , M. E. and Nakanishi , H. 1981 . “Scaling theory for the criticality of fluids between plates” . J. Chem. Phys. , 75 : 5857
   Web of Science ®Google Scholar
• Nakanishi , H. and Fisher , M. E. 1983 . “Critical points shifts in films” . J. Chem. Phys. , 78 : 3279
   Web of Science ®Google Scholar
• Evans , R. and Tarazona , P. 1984 . “Theory of condensation in narrow capillaries” . Phys. Rev. Lett. , 52 : 557
   Web of Science ®Google Scholar
• Evans , R. , Marini , U. and Bettolo , Marconi . 1985 . “The role of wetting films in capillary condensation and rise: Influence of long-range forces” . Chem. Phys. Lett. , 114 : 415
   Web of Science ®Google Scholar
• Evans , R. , Marini , U. , Bettolo , Marconi and Tarazona , P. 1986 . “Fluids in narrow pores: Adsorption, capillary condensation and critical points” . J. Chem. Phys. , 84 : 2376
   Web of Science ®Google Scholar
• Evans , R. , Marini , U. , Bettolo , Marconi and Tarazona , P. 1986 . “Capillary condensation and adsorption in cylindrical and slit-like pores” . J. Chem. Soc. Faraday Trans. II , 82 : 1763
   Web of Science ®Google Scholar
• Peterson , B. K. J. , Walton , P. R. B. and Gubbins , K. E. 1789 . “Fluid behavior in narrow pores” . J. Chem. Soc. Faraday Trans. II , 82
   Google Scholar
• Ball , P. C. and Evans , R. 1987 . “On the mechanism for hysteresis of gas adsorption on mesoporous substrates” . Europhys. Lett. , 4 : 715
   Google Scholar
• Walton , J. P. R. B. and Quirke , N. 1986 . “Modelling the phase behaviour of a fluid within a pore” . Chem. Phys. Lett. , 129 : 382
   Web of Science ®Google Scholar
• Tarazona , P. , Marini , U. , Bettolo , Marconi and Evans , R. 1987 . “Phase equilibria of fluid interfaces and confined fluids. Nonlocal versus local density functionals” . Mol. Phys. , 60 : 573
   Web of Science ®Google Scholar
• Sullivan , D. E. and Telo da Gama , M. M. 1985 . Fluid Interfacial Phenomena , Edited by: Croxton , C. A. 45 New York : Wiley .
   Google Scholar
• Tarazona , P. 1985 . “Free energy density functional for hard spheres” . Phys. Rev. A , 31 : 2672
   PubMed Web of Science ®Google Scholar
• Nicolas , J. J. , Gubbins , K. E. , Street , W. B. and Tildesley , D. J. 1979 . “Equation of state for the Lennard-Jones fluid” . Mol. Phys. , 37 : 1429
   Web of Science ®Google Scholar
• Adams , D. J. 1976 . “Calculating the low temperature vapour line by Monte Carlo” . Mol. Phys. , 32 : 647
   Web of Science ®Google Scholar
• Rowley , L. A. , Nicholson , D. and Parsonage , N. G. 1978 . “Long-range corrections to grand canonical ensemble Monte Carlo calculations for adsorption systems” . J. Comp. Phys. , 26 : 66
   Web of Science ®Google Scholar
• Steele , W. A. 1974 . The Interaction of Gases with Solid Surfaces , New York : Pergamon .
   Google Scholar
• Maitland , G. C. , Rigby , M. , Smith , E. B. and Wakeham , W. A. 1981 . Intermolecular Forces: their origin and determination , Oxford University Press .
   Google Scholar
• Reddy , M. R. and O'Shea , S. F. 1986 . “The equation of state of the two-dimensional Lennard-Jones fluid” . Can. J. Phys. , 64 : 677
   Web of Science ®Google Scholar
• Medros , L. , Chacón , E. , Navascués , G. and Lombardero , M. 1985 . “Two-dimensional Lennard-Jones liquid-vapour interphase. A functional perturbation approach” . Mol. Phys. , 54 : 211
   Google Scholar
• Evans , R. and Tarazona , P. 1983 . “Wetting and thick-thin film transitions in a model of argon at a solid CO2 substrate” . Phys. Rev. A , 28 : 1864
   Web of Science ®Google Scholar
• Freasier , B. C. and Nordholm , S. 1985 . “The generalized van der Waals theory of wetting; non-local entropy and oscillatory structures” . Mol. Phys. , 54 : 33
   Web of Science ®Google Scholar
• Tarazona , P. and Evans , R. 1983 . “Wetting transitions at models of a solid gas interface” . Mol. Phys. , 48 : 799
   Web of Science ®Google Scholar
• Adams , D. J. 1974 . “Chemical potential of hard-sphere fluids by Monte Carlo” . Mol. Phys. , 28 : 1241
   Web of Science ®Google Scholar
• Adams , D. J. 1975 . “Grand canonical ensemble Monte Carlo for a Lennard-Jones fluid” . Mol. Phys. , 29 : 307
   Web of Science ®Google Scholar
• Nicholson , D. and Parsonage , N. G. 1982 . Computer Simulation and the Statistical Mechanics of Adsorption , London : Academic Press .
   Google Scholar
• Mezei , M. H. 1987 . “Grand-canonical ensemble Monte Carlo study of dense liquid. Lennard-Jones, soft spheres and water” . Mol. Phys. , 61 : 565
   Web of Science ®Google Scholar
• Munster , A. 1969 . Statistical Thermodynamics , Vol 1 , Berlin : Springer .
   Google Scholar
• Henderson , J. R. and van Swol , F. 1984 . “On the interface between a fluid and a planar wall. Theory and simulations of a hard sphere fluid at a hard wall” . Mol. Phys. , 51 : 991
   Web of Science ®Google Scholar
• Schofield , P. and Henderson , J. R. 1982 . “Statistical mechanics of inomogeneous fluids” . Proc. R. Soc. A , 379 : 231
   Google Scholar
• Walton , J. P. R. B. , Tildesley , D. J. and Rowlinson , J. S. 1983 . “The pressure tensor at the planar surface of a liquid” . Mol. Phys. , 48 : 1357
   Web of Science ®Google Scholar
• Henderson , J. R. and Rowlinson , J. S. 1984 . “Statistical mechanics of fluid interfaces in cylindrical symmetry” . J. Phys. Chem. , 88 : 6484
   Google Scholar
• Schoen , M. , Diestler , D. J. and Cushman , J. H. 1987 . “Fluids in micropores. I. Structure of a simple classical fluid in a slit-pore” . J. Chem. Phys. , 87 : 5464
   Web of Science ®Google Scholar
• van Megen , W. and Snook , I. K. 1982 . “Physical adsorption of gases at high pressure I. The critical region” . Mol. Phys. , 45 : 629
   Web of Science ®Google Scholar
• Snook , I. K. and van Megen , W. 1982 . “Physical adsorption of gases at high pressure II. Effect of temperature” . Mol. Phys. , 47 : 1417
   Web of Science ®Google Scholar
• Walton , J. P. R. B. and Halpin , T. P. J. 1988 . “A simple molecular graphics program” in preparation
   Google Scholar
• Davies , E. K. , ed. CHEMGRAF , Oxford : Chemical Crystallography Laboratory, Oxford University, developed and distributed by Chemical Design Ltd .
   Google Scholar
• Hill , T. L. 1947 . “Statistical mechanics of multimolecular adsorption. III. Introductory treatment of horizontal interactions. Capillary condensation and hysteresis” . J. Chem. Phys. , 15 : 767
   Web of Science ®Google Scholar
• Mason , G. 1983 . “A model of adsorption-desorption hysteresis in which hysteresis is primarily developed by the interconnections in a network of pores” . Proc. R. Soc. A , 390 : 47
   Google Scholar
• Nicholson , D. July 1987 . Presentation at CCP5 workshop on Sorption in Porous Solids July , Imperial College, London
   Google Scholar
• Chapela , G. A. , Saville , G. , Thompson , S. M. and Rowlinson , J. S. “Computer simulation of a gas-liquid surface. Part 1.” . J. Chem. Soc. Faraday Trans. II , 1133
   Google Scholar
• Seaton , N. A. , Walton , J. P. R. B. and Quirke , N . 1988 . work in progress
   Google Scholar