Advanced search
Publication Cover
Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 66, 1989 - Issue 4
Submit an article Journal homepage
63
Views
87
CrossRef citations to date
0
Altmetric
Original Articles

Fluids inside a pore—an integral-equation approach

I. General formalism and hard spheres inside spherical and slit pores

Yaoqi Zhou Department of Chemistry, State University of New York at Stony Brook, Stony Brook, New York, 11794, U.S.A.
&
George Stell Departments of Chemistry and Mechanical Engineering, State University of New York at Stony Brook, Stony Brook, New York, 11794, U.S.A.
Pages 767-789 | Received 15 Jul 1988, Accepted 28 Sep 1988, Published online: 22 Aug 2006

Citations (87)

Keep up to date with the latest research on this topic with citation updates for this article.

Subscribe to citation updates

Read on this site (22)

Huan Cong Huang, Yong Jin Yoon & Sang Kyu Kwak. (2013) On the freezing and structure of hard spheres under spherical confinement. Molecular Physics 111:21, pages 3283-3288.
Read now
Tomáš Boublík. (2011) Density profiles of atoms in nano-tubes from an analytic method: hydrogen in a cylindrical pore. Molecular Physics 109:1, pages 75-82.
Read now
Wen Wen Chen, Huan Cong Huang & Sang Kyu Kwak. (2010) Evaluation of bridge function for hard sphere fluid confined in a narrow slit-pore via TMMC Mayer-sampling. Molecular Physics 108:11, pages 1531-1537.
Read now
Tomáš Boublık. (2009) Distribution functions of a heteronuclear hard dumbbell at a hard wall. Pure fluid and mixtures with hard spheres. Molecular Physics 107:3, pages 205-211.
Read now
Tomáš Boublík. (2006) Hard-sphere radial distribution function from the residual chemical potential. Molecular Physics 104:22-24, pages 3425-3433.
Read now
JOSÉ ALEJANDRE, MARCELO LOZADA-CASSOU & LÉO DEGRÈVE. (1996) Effect of pore geometry on a confined hard sphere fluid. Molecular Physics 88:5, pages 1317-1336.
Read now
Martin Schoen. (1996) Computer Simulations of the Rheological Behavior of Confined Films. Molecular Simulation 17:4-6, pages 369-398.
Read now
Guillermo Rodríguez & Luis Vicente. (1996) Density profiles of colloidal suspensions in equilibrium inside slit pores. Molecular Physics 87:1, pages 213-226.
Read now
Orest Pizio, Andrij Trokhymchuk & Stefan Sokołowski. (1995) Density profiles of a double square-well model of a chemically associating fluid near a hard wall. Molecular Physics 86:4, pages 649-664.
Read now
A. Trokhymchuk, O. Pizio, S. Sokołowski & D. Henderson. (1995) Density profiles of chemically reacting fluids in slit-like pores. Molecular Physics 86:1, pages 53-71.
Read now
Torben Smith Sørensen & Sergio Roberto Rivera. (1995) GCEMC Simulations of “Swiss Cheese” Ion Exchange Membranes in Dilute Solutions of Primitive Model 1:1 Electrolytes with Different Sizes of Ions or 2:1 Electrolytes with Different Bjerrum Parameters. Molecular Simulation 15:2, pages 79-122.
Read now
Douglas Henderson, Stefan Sokołowski & Andzej Patrykiejew. (1995) Adsorption of fluids on colloidal particles: a density functional approach. Molecular Physics 85:4, pages 745-755.
Read now
C. Chmiel, K. Karykowski, A. Patrykiejew, W. Rżysko & S. Sokołowski. (1994) Capillary condensation in non-uniform pores. Molecular Physics 81:3, pages 691-703.
Read now
R. Pospíˇsil, A. Malijevský, P. Jech & W.R. Smith. (1993) Integral equation and computer simulation studies of hard spheres in a slit pore. Molecular Physics 78:6, pages 1461-1474.
Read now
R. Pospíšil & A. Malijevský. (1992) Integral equation study of hard sphere fluids near a hard cylinder macromolecule. Molecular Physics 76:6, pages 1423-1432.
Read now
S. Sokołowski. (1992) Molecular dynamics studies of adsorption and flow of fluids through geometrically non-uniform cylindrical pores. Molecular Physics 75:6, pages 1301-1327.
Read now
S. Sokołowski. (1992) Adsorption of oxygen in slit-like pores: grand canonical ensemble Monte Carlo studies. Molecular Physics 75:5, pages 999-1022.
Read now
M. Calleja, A.N. North, J.G. Powles & G. Rickayzen. (1991) The structure of fluids confined to spherical pores: theory and simulation. Molecular Physics 73:5, pages 973-983.
Read now
A. Malijevský, R. Pospíšil, W.R. Smith & S. Labík. (1991) The Ornstein-Zernike equation for hard spheres near a hard wall. Molecular Physics 72:1, pages 199-213.
Read now
S. Sokolowski & J. Fischer. (1990) Lennard-Jones mixtures in slit-like pores: a comparison of simulation and density-functional theory. Molecular Physics 71:2, pages 393-412.
Read now
Yaoqi Zhou & George Stell. (1989) Fluids inside a pore—An integral equation approach. Molecular Physics 68:6, pages 1265-1275.
Read now
Yaoqi Zhou & George Stell. (1989) Fluids inside a pore—an integral-equation approach. Molecular Physics 66:4, pages 791-796.
Read now

Articles from other publishers (65)

Yanshuang Kang, Haijun Wang & Zongli Sun. (2022) Structural and thermodynamic properties of inhomogeneous fluids in rectangular corrugated nano-pores. Chinese Physics B 31:5, pages 056104.
Crossref
Chwen-Yang Shew, Soutaro Oda & Kenichi Yoshikawa. (2017) Localization switching of a large object in a crowded cavity: A rigid/soft object prefers surface/inner positioning. The Journal of Chemical Physics 147:20.
Crossref
Ivan Lyubimov, Daniel J. Beltran-Villegas & Arthi Jayaraman. (2017) PRISM Theory Study of Amphiphilic Block Copolymer Solutions with Varying Copolymer Sequence and Composition. Macromolecules 50:18, pages 7419-7431.
Crossref
Thiago Colla, Matheus Girotto, Alexandre P. dos Santos & Yan Levin. (2016) Charge neutrality breakdown in confined aqueous electrolytes: Theory and simulation. The Journal of Chemical Physics 145:9.
Crossref
A. Patrykiejew, S. Sokołowski, Z. Sokołowska & Ja. Ilnytskyi. (2013) Fluid of Janus molecules between two walls: The solvation force. The Journal of Chemical Physics 139:22.
Crossref
Jung Ho Yang, Andrew J. Schultz, Jeffrey R. Errington & David A. Kofke. (2013) Calculation of inhomogeneous-fluid cluster expansions with application to the hard-sphere/hard-wall system. The Journal of Chemical Physics 138:13.
Crossref
Mengjin Xu, Chen Zhang, Zhongjie Du & Jianguo Mi. (2012) Modified PRISM theory for confined polymers. The Journal of Chemical Physics 137:18.
Crossref
Janice A. Lee, Harald Rösner, John F. Corrigan & Yining Huang. (2011) Phase Transitions of Naphthalene and Its Derivatives Confined in Mesoporous Silicas. The Journal of Physical Chemistry C 115:11, pages 4738-4748.
Crossref
Tomáš Boublík. (2010) Hard spheres in tubes: Density profile from a simple analytical method. Journal of Molecular Liquids 155:1, pages 37-41.
Crossref
Tomáš Boublík. (2010) Distribution functions of the hard heteronuclear dumbbells and of their mixtures with hard spheres near a hard wall. Collection of Czechoslovak Chemical Communications 75:3, pages 289-302.
Crossref
Tomáš Boublík. (2008) Distribution Functions in Systems of Hard Dumbbells and Linear Hard Triatomics near a Hard Wall. The Journal of Physical Chemistry B 112:48, pages 15391-15397.
Crossref
Tomáš Boublík. (2008) Radial Distribution Function in the Hard Sphere Mixtures. Collection of Czechoslovak Chemical Communications 73:3, pages 388-400.
Crossref
A. Malijevský & J. Kolafa. 2008. Theory and Simulation of Hard-Sphere Fluids and Related Systems. Theory and Simulation of Hard-Sphere Fluids and Related Systems 1 26 .
S. Amokrane, A. Ayadim & J. G. Malherbe. (2007) Integral Equations for the Pair Structure:  An Efficient Method for Studying the Potential of Mean Force in Strongly Confined Colloids. The Journal of Physical Chemistry C 111:43, pages 15982-15988.
Crossref
Tomáš Boublík. (2007) Structure of Hard Spheres near a Hard Wall and in a Pore from the Residual Chemical Potential. The Journal of Physical Chemistry C 111:43, pages 15505-15512.
Crossref
A. Ayadim, J. G. Malherbe & S. Amokrane. (2005) Potential of mean force in confined colloids: Integral equations with fundamental measure bridge functions. The Journal of Chemical Physics 122:23.
Crossref
Ronen Zangi. (2004) Water confined to a slab geometry: a review of recent computer simulation studies. Journal of Physics: Condensed Matter 16:45, pages S5371-S5388.
Crossref
Yurko Duda, Eduard Vakarin & José Alejandre. (2003) Stability and interfacial properties of confined nonadditive hard-sphere binary mixture. Journal of Colloid and Interface Science 258:1, pages 10-19.
Crossref
Ioannis A. Hadjiagapiou. (2002) Wetting and structure of a fluid in a spherical cavity. Physical Review E 65:2.
Crossref
Shiqi Zhou & Xiaoqi Zhang. (2001) Microscopic approach for the site distribution and thermodynamic properties of a single-component polymer subjected to an external field. Physical Review E 64:1.
Crossref
Kristan K.S. Buck, Natalia I. Gerhardt, Stephanie R. Dungan & Ronald J. Phillips. (2001) The Effect of Solute Concentration on Equilibrium Partitioning in Polymeric Gels. Journal of Colloid and Interface Science 234:2, pages 400-409.
Crossref
Yurko Duda, Douglas Henderson, Andrij Trokhymchuk & Darsh Wasan. (1999) Integral Equation Study of the Solvation Force between Macroscopic Surfaces Separated by Thin Films of Diatomic, Chain, and Network Solvents. The Journal of Physical Chemistry B 103:35, pages 7495-7504.
Crossref
Arun Yethiraj. (1999) Forces between surfaces immersed in polyelectrolyte solutions. The Journal of Chemical Physics 111:5, pages 1797-1800.
Crossref
Arun Yethiraj. (1999) Molecular modeling of polymers at surfaces. Chemical Engineering Journal 74:1-2, pages 109-115.
Crossref
Z. T. Németh & H. Löwen. (1999) Freezing and glass transition of hard spheres in cavities. Physical Review E 59:6, pages 6824-6829.
Crossref
R. Evans. 1999. New Approaches to Problems in Liquid State Theory. New Approaches to Problems in Liquid State Theory 153 172 .
A. González, J. A. White, F. L. Román & R. Evans. (1998) How the structure of a confined fluid depends on the ensemble: Hard spheres in a spherical cavity. The Journal of Chemical Physics 109:9, pages 3637-3650.
Crossref
Luis Pérez, Stefan Sokołowski & Orest Pizio. (1998) Capillary condensation of Lennard-Jones fluid in a slitlike pore filled with quenched disordered matrix. The Journal of Chemical Physics 109:3, pages 1147-1151.
Crossref
John G. Curro, Jeffrey D. Weinhold, John D. McCoy & Arun Yethiraj. (1998) The structure of amorphous polymers near surfaces: athermal systems. Computational and Theoretical Polymer Science 8:1-2, pages 159-168.
Crossref
P.G. Khalatur, L.V. Zherenkova & A.R. Khokhlov. (1997) Aggregation of colloidal particles induced by polymer chains: The RISM integral equation theory. Physica A: Statistical Mechanics and its Applications 247:1-4, pages 205-234.
Crossref
Jörg Galle, Horst L. Vörtler & Klaus-Peter Schneider. (1997) Monte Carlo simulation of hard sphere fluids in planar slits with molecularly rough surfaces. Surface Science 387:1-3, pages 78-85.
Crossref
Douglas Henderson, Stefan Sokolowski & Darsh Wasan. (1997) Second-order Percus-Yevick theory for a confined hard-sphere fluid. Journal of Statistical Physics 89:1-2, pages 233-247.
Crossref
A. González, J. A. White, F. L. Román, S. Velasco & R. Evans. (1997) Density Functional Theory for Small Systems: Hard Spheres in a Closed Spherical Cavity. Physical Review Letters 79:13, pages 2466-2469.
Crossref
Horst L. Vörtler & Matthias Kettler. (1997) Monte Carlo simulation of pore systems: primitive model of water in slit-like pores. Chemical Physics Letters 266:3-4, pages 368-374.
Crossref
A. Jamnik. (1996) Spatial correlations and solvation interaction in a two-component mixture of adhesive fluids. The Journal of Chemical Physics 105:23, pages 10511-10520.
Crossref
D. Henderson, A. Patrykiejew, O. Pizio & S. Sokołowski. (1996) Adsorption of dimerizing fluids in disordered porous networks. Physica A: Statistical Mechanics and its Applications 233:1-2, pages 67-76.
Crossref
Martin Schoen. (1996) The impact of discrete wall structure on stratification-induced structural phase transitions in confined films. The Journal of Chemical Physics 105:7, pages 2910-2918.
Crossref
M. Schoen, S. Hess & D. J. Diestler. (1995) Rheological properties of confined thin films. Physical Review E 52:3, pages 2587-2602.
Crossref
Douglas Henderson & Stefan Sokołowski. (1995) Adsorption in a spherical cavity. Physical Review E 52:1, pages 758-762.
Crossref
K Karykowski, W Rżysko, A Patrykiejew & S Sokołowski. (1994) Grand canonical ensemble Monte Carlo simulations of adsorption in energetically heterogeneous slit-like pores. Thin Solid Films 249:2, pages 236-240.
Crossref
A. Jamnik & D. Bratko. (1994) Structure of confined adhesive fluids: A Monte Carlo study. Physical Review E 50:2, pages 1151-1161.
Crossref
Soong-Hyuck Suh & Heai-Ku Park. (1994) Thermodynamic and structural properties of hard-sphere fluids confined within a spherical hard-wall pore. Korean Journal of Chemical Engineering 11:3, pages 198-203.
Crossref
E. Kozak, G. Chmiel, A. Patrykiejew & S. Sokołtowski. (1994) Pore closure effect on adsorption hysteresis in slit-like pores. Physics Letters A 189:1-2, pages 94-98.
Crossref
K. P. Walley, K. S. Schweizer, J. Peanasky, L. Cai & S. Granick. (1994) Structure of confined alkane liquids. The Journal of Chemical Physics 100:4, pages 3361-3364.
Crossref
E. Kierlik & M. L. Rosinberg. (1994) Perturbation density functional theory for polyatomic fluids. III. Application to hard chain molecules in slitlike pores. The Journal of Chemical Physics 100:2, pages 1716-1730.
Crossref
G. Chmiel, L. Łajtar, S. Sokołowski & A. Patrykiejew. (1994) Adsorption in energetically heterogeneous slit-like pores: comparison of density functional theory and computer simulations. J. Chem. Soc., Faraday Trans. 90:8, pages 1153-1156.
Crossref
Martin Schoen, D. J. Diestler & John H. Cushman. (1993) Shear melting of confined solid monolayer films. Physical Review B 47:10, pages 5603-5613.
Crossref
A. Jamnik & D. Bratko. (1993) Structure of Baxter's adhesive fluid in a planar gap. Chemical Physics Letters 203:5-6, pages 465-471.
Crossref
Arun Yethiraj, John G. Curro, Kenneth S. Schweizer & John D. McCoy. (1993) Microscopic equations of state of polyethylene: Hard-chain contribution to the pressure. The Journal of Chemical Physics 98:2, pages 1635-1646.
Crossref
Albert J. Post & David A. Kofke. (1992) Fluids confined to narrow pores: A low-dimensional approach. Physical Review A 45:2, pages 939-952.
Crossref
Torben Smith Sørensen & Peter Sloth. (1992) Ion and potential distributions in charged and non-charged primitive spherical pores in equilibrium with primitive electrolyte solution calculated by grand canonical ensemble Monte Carlo simulation. Comparison with generalized Debye–Hückel and Donnan theory. J. Chem. Soc., Faraday Trans. 88:4, pages 571-589.
Crossref
S. Sokoowski. (1991) Capillary condensation and molecular-dynamics simulations of flow in narrow pores. Physical Review A 44:6, pages 3732-3741.
Crossref
Arun Yethiraj & Carol K. Hall. (1991) Integral equation theory for the adsorption of chain fluids in slitlike pores. The Journal of Chemical Physics 95:5, pages 3749-3755.
Crossref
R. D. Kaminsky & P. A. Monson. (1991) The influence of adsorbent microstructure upon adsorption equilibria: Investigations of a model system. The Journal of Chemical Physics 95:4, pages 2936-2948.
Crossref
A. Jamnik, D. Bratko & D. J. Henderson. (1991) Liophobic interaction in Baxter’s adhesive fluid. The Journal of Chemical Physics 94:12, pages 8210-8215.
Crossref
S. Sokolowski & J. Fischer. (1990) Relation between Born–Green–Yvon solutions and chemical potential for a fluid inside a pore. The Journal of Chemical Physics 93:9, pages 6787-6792.
Crossref
Lisa A. Fanti, Eduardo D. Glandt & William G. Madden. (1990) Fluids in equilibrium with disordered porous materials. Integral equation theory. The Journal of Chemical Physics 93:8, pages 5945-5953.
Crossref
J. M. D. MacElroy & K. Raghavan. (1990) Adsorption and diffusion of a Lennard-Jones vapor in microporous silica. The Journal of Chemical Physics 93:3, pages 2068-2079.
Crossref
Peter Sloth. (1990) Hard-sphere fluids inside spherical, hard pores. Grand canonical ensemble Monte Carlo calculations and integral equation approximations. The Journal of Chemical Physics 93:2, pages 1292-1298.
Crossref
D. Bratko. (1990) Hypernetted chain approximation for ion distribution in reverse micelles. Chemical Physics Letters 169:6, pages 555-560.
Crossref
Yaoqi Zhou & George Stell. (1990) Nonlocal integral-equation approximations. II. Lennard-Jones fluids. The Journal of Chemical Physics 92:9, pages 5544-5550.
Crossref
Yaoqi Zhou & George Stell. (1990) Nonlocal integral-equation approximations. I. The zeroth order (hydrostatic) approximation with applications. The Journal of Chemical Physics 92:9, pages 5533-5543.
Crossref
J A White & R Evans. (1990) For fluids adsorbed at walls the MWDA density functional theory is equivalent to an HNC approach. Journal of Physics: Condensed Matter 2:10, pages 2435-2442.
Crossref
Lisa A Fanti & Eduardo D Glandt. (1990) Partitioning of spherical particles into fibrous matrices. Journal of Colloid and Interface Science 135:2, pages 385-395.
Crossref
Yaoqi Zhou & George Stell. (1989) The theory of semipermeable vesicles and membranes: An integral-equation approach. III. Vesicles with internal nonpermeating ions. The Journal of Chemical Physics 91:5, pages 3208-3211.
Crossref

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Order Reprints Request Corporate Permissions

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

Request Academic Permissions

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.

Related research

People also read lists articles that other readers of this article have read.

Recommended articles lists articles that we recommend and is powered by our AI driven recommendation engine.

Cited by lists all citing articles based on Crossref citations.
Articles with the Crossref icon will open in a new tab.