Citations (79)
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Orest Pizio & Stefan Sokołowski. (2022) Effects of fluid–solid interaction strength on wetting of graphite-like substrates by water: density functional theory. Molecular Physics 120:6.
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Yuchong Zhang, Shun Xi, Arjun Valiya Parambathu & Walter G. Chapman. (2020) Density functional study of one- and two-component bottlebrush molecules in solvents of varying quality. Molecular Physics 118:9-10.
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Edgar L. Camacho Vergara, Georgios M. Kontogeorgis & Xiaodong Liang. (2020) A new study of associating inhomogeneous fluids with classical density functional theory. Molecular Physics 118:9-10.
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Víctor M. Trejos, Stefan Sokołowski & Orest Pizio. (2020) On the solvation force of water-like fluid models with square-well attraction and site–site association in slit-like pores: density functional approach. Molecular Physics 118:4.
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Patrick Zimmermann, Thomas Goetsch, Tim Zeiner & Sabine Enders. (2017) Modelling of adsorption isotherms of isomers using density functional theory. Molecular Physics 115:9-12, pages 1389-1407.
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Bennett
D. Marshall, Alejandro
J. García-Cuéllar & Walter
G. Chapman. (2012) A perturbation density functional theory for hydrogen bonding cyclic molecules. Molecular Physics 110:23, pages 2927-2939.
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Ivan Brovchenko & Alla Oleinikova. (2012) Universal Shape of the Fluid Density Profiles Near a Solid Boundary: LJ Vapor Near Weakly Attractive and Hard Walls. Soft Materials 10:1-3, pages 106-129.
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Shekhar Jain & Walter G. Chapman. (2009) Effect of confinement on the ordering of symmetric diblock copolymers: application of interfacial statistical associating fluid theory. Molecular Physics 107:1, pages 1-17.
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C. Nie & W. H. Marlow. (2007) Equilibrium adsorption of water-like molecules on single nanospheres. Molecular Physics 105:8, pages 961-966.
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J.S. Erickson, G.L. Aranovich & M.D. Donohue. (2004) Solution Microstructure of Confined Fluids with Directional Interactions under the Influence of an External Field: Mean Field Considerations. Molecular Simulation 30:8, pages 507-520.
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SANDEEP TRIPATHI & WALTERG. CHAPMAN. (2003) An algorithm for calculating the chemical potential in associating and reacting fluids. Molecular Physics 101:8, pages 1199-1209.
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JAN SLOVÁK. (2003) Adsorption of fluids of pseudo-hard bodies and EPM5 water on solid surface: density functional theory. Molecular Physics 101:8, pages 1171-1181.
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FELIPEJ. BLAS, ELVIRA
MARTÍN DEL RÍO, ENRIQUE DE MIGUEL & GEORGE JACKSON. (2001) An examination of the vapour-liquid interface of associating fluids using a SAFT-DFT approach. Molecular Physics 99:22, pages 1851-1865.
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CHADJ. SEGURA, JIE ZHANG & WALTERG. CHAPMAN. (2001) Binary associating fluid mixtures against a hard wall: density functional theory and simulation. Molecular Physics 99:1, pages 1-12.
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ADRIAN HUERTA, OREST PIZIO, PAWEŁ BRYK & STEFAN SOKOŁOWSKI. (2000) Application of the density functional method to study phase transitions in an associating Lennard-Jones fluid adsorbed in energetically heterogeneous slit-Like pores. Molecular Physics 98:22, pages 1859-1869.
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ADRIAN HUERTA, STEFAN SOKOLOWSKI & OREST PIZIO. (1999) Structure and phase transitions in a network-forming associating Lennard-Jones fluid in a slit-like pore: a density functional approach. Molecular Physics 97:8, pages 919-930.
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R. ZAGÓRSKI, M. BORÓWKO, S. SOKOŁOWSKI & O. PIZIO. (1999) The structure of associating hard spheres adsorbed on crystalline solids: a density functional approach. Molecular Physics 96:5, pages 885-892.
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ANDRZEJ PATRYKIEJEW, STEFAN SOKOŁOWSKI & DOUGLAS HENDERSON. (1998) The structure of associating fluids restricted by permeable walls: a density functional approach. Molecular Physics 95:2, pages 211-218.
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PAWEL BRYK WIESLAWA CYRANKIEWICZ & MALGORZATA BOROWKO STEFAN SOKOLOWSKI. (1998) A fluid in contact with a semipermeable membrane: density functional approach. Molecular Physics 93:1, pages 111-116.
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Articles from other publishers (60)
Thomas Petersen. (2024) Toward Modeling the Structure of Electrolytes at Charged Mineral Interfaces Using Classical Density Functional Theory. The Journal of Physical Chemistry B 128:16, pages 3981-3996.
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Yuri Martínez-Ratón & Enrique Velasco. (2024) Density-functional theory for clustering of two-dimensional hard particle fluids. Journal of Molecular Liquids 397, pages 124044.
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Jiarong Sang & Feng Wei. (2024) Investigating the properties of the water−vapor and water−graphite interfaces by PC-SAFT based density functional theory: A comparative study of different association functionals and PC-SAFT water parameter sets. Journal of Molecular Liquids 397, pages 124009.
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Antoine Barthes, Thomas Bernet, David Grégoire & Christelle Miqueu. (2024) A molecular density functional theory for associating fluids in 3D geometries. The Journal of Chemical Physics 160:5.
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O. Pizio, A. Trokhymchuk, T. Patsahan, D. di Caprio & T. Yamaguchi. (2024) Molecular liquids and ionic solutions: From statistical mechanics modeling to experimental observations. In honor of the 80th birthday of Myroslav Holovko. Journal of Molecular Liquids 395, pages 123857.
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Jinxin Lu, Andrés González de Castilla, Simon Müller, Shun Xi & Walter G. Chapman. (2023) Dualistic Role of Alcohol in Micelle Formation and Structure from iSAFT Based Density Functional Theory and COSMOplex. Industrial & Engineering Chemistry Research 62:4, pages 1968-1983.
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A.L. Kolesnikov, Y.A. Budkov, G.D. Barbosa, J. Möllmer & F.W. Tavares. (2023) Water adsorption on planar interfaces: Classical density functional study. Fluid Phase Equilibria 564, pages 113567.
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Philipp Rehner, Thijs van Westen & Joachim Gross. (2022) Equation of state and Helmholtz energy functional for fused heterosegmented hard chains. Physical Review E 105:3.
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Shun Xi, Yiwei Zhu, Jinxin Lu & Walter G. Chapman. (2022) Block copolymer self-assembly: Melt and solution by molecular density functional theory. The Journal of Chemical Physics 156:5.
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Philipp Rehner, Benjamin Bursik & Joachim Gross. (2021) Surfactant Modeling Using Classical Density Functional Theory and a Group Contribution PC-SAFT Approach. Industrial & Engineering Chemistry Research 60:19, pages 7111-7123.
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Edgar L. Camacho Vergara, Georgios M. Kontogeorgis & Xiaodong Liang. (2020) On the study of the vapor-liquid interface of associating fluids with classical density functional theory. Fluid Phase Equilibria 522, pages 112744.
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Yu A Budkov & A L Kolesnikov. (2020) Nonlocal density functional theory of water taking into account many-body dipole correlations: binodal and surface tension of ‘liquid–vapour’ interface. Journal of Physics: Condensed Matter 32:36, pages 365001.
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Jian Jiang, Valeriy V. Ginzburg & Zhen-Gang Wang. (2019) On the origin of oscillatory interactions between surfaces mediated by polyelectrolyte solution. The Journal of Chemical Physics 151:21.
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P. I. C. Teixeira & F. Sciortino. (2019) Patchy particles at a hard wall: Orientation-dependent bonding. The Journal of Chemical Physics 151:17.
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Víctor M. Trejos, Orest Pizio & Stefan Sokołowski. (2019) On the interdigitation of molecular brushes and solvation force upon adsorption of water in slit-like pores with grafted chains. Density functional approach. The Journal of Chemical Physics 151:6.
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Daniel Stopper, Frank Hirschmann, Martin Oettel & Roland Roth. (2018) Bulk structural information from density functionals for patchy particles. The Journal of Chemical Physics 149:22.
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Víctor M. Trejos, Stefan Sokołowski & Orest Pizio. (2018) Adsorption and phase behavior of water-like fluid models with square-well attraction and site-site association in slit-like pores: Density functional approach. The Journal of Chemical Physics 149:13.
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Yuchong Zhang, Arjun Valiya Parambathu & Walter G. Chapman. (2018) Density functional study of dendrimer molecules in solvents of varying quality. The Journal of Chemical Physics 149:6.
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Xiaoqun Mu, Shun Xi, Faruk O. Alpak & Walter G. Chapman. (2018) Modified Density Gradient Theory for Surfactant Molecules Applied to Oil/Water Interfaces. Industrial & Engineering Chemistry Research 57:22, pages 7643-7654.
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Víctor M. Trejos & Jacqueline Quintana-H. (2018) Thermodynamic properties of confined square-well fluids with multiple associating sites. The Journal of Chemical Physics 148:7.
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Jinlu Liu, Le Wang, Shun Xi, Dilip Asthagiri & Walter G. Chapman. (2017) Adsorption and Phase Behavior of Pure/Mixed Alkanes in Nanoslit Graphite Pores: An iSAFT Application. Langmuir 33:42, pages 11189-11202.
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Elmar Sauer & Joachim Gross. (2017) Classical Density Functional Theory for Liquid–Fluid Interfaces and Confined Systems: A Functional for the Perturbed-Chain Polar Statistical Associating Fluid Theory Equation of State. Industrial & Engineering Chemistry Research 56:14, pages 4119-4135.
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Deepti Ballal & Walter G. Chapman. (2015) Competition between Intra- and Intermolecular Association of Chain Molecules with Water-like Solvent. The Journal of Physical Chemistry B 119:22, pages 6792-6802.
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Christoph Klink, Barbora Planková & Joachim Gross. (2015) Density Functional Theory for Liquid–Liquid Interfaces of Mixtures Using the Perturbed-Chain Polar Statistical Associating Fluid Theory Equation of State. Industrial & Engineering Chemistry Research 54:16, pages 4633-4642.
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Christoph Klink & Joachim Gross. (2014) A Density Functional Theory for Vapor–Liquid Interfaces of Mixtures Using the Perturbed-Chain Polar Statistical Associating Fluid Theory Equation of State. Industrial & Engineering Chemistry Research 53:14, pages 6169-6178.
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J Solana. 2013. Perturbation Theories for the Thermodynamic Properties of Fluids and Solids. Perturbation Theories for the Thermodynamic Properties of Fluids and Solids.
Bennett D. Marshall, Deepti Ballal & Walter G. Chapman. (2012) Wertheim's association theory applied to one site patchy colloids: Beyond the single bonding condition. The Journal of Chemical Physics 137:10.
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Zhengzheng Feng & Walter G. Chapman. (2012) Revisited Block Copolymer/Nanoparticle Composites: Extension of Interfacial Statistical Associating Fluid Theory. Macromolecules 45:16, pages 6658-6668.
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Bennett D. Marshall, Kenneth R. Cox & Walter G. Chapman. (2012) A Classical Density Functional Theory Study of the Neat n-Alkane/Water Interface. The Journal of Physical Chemistry C 116:33, pages 17641-17649.
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Bennett D. Marshall & Walter G. Chapman. (2011) Higher Order Classical Density Functional Theory for Branched Chains and Rings. The Journal of Physical Chemistry B 115:50, pages 15036-15047.
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Dong Fu, XueYin Hua & YiFei Xu. (2011)
Cross-Association Model for the Phase Equilibria and Surface Tensions of CO
2
−Methanol and CO
2
−Ethanol Mixtures
. The Journal of Physical Chemistry C 115:8, pages 3340-3345.
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Clare McCabe & Amparo Galindo. 2010. Applied Thermodynamics of Fluids. Applied Thermodynamics of Fluids
215
279
.
Adam Bymaster & Walter G. Chapman. (2010)
An
i
SAFT Density Functional Theory for Associating Polyatomic Molecules
. The Journal of Physical Chemistry B 114:38, pages 12298-12307.
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E. S. McGarrity, J. M. Thijssen & N. A. M. Besseling. (2010) Fluids density functional theory studies of supramolecular polymers at a hard surface. The Journal of Chemical Physics 133:8.
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Joachim Gross. (2009) A density functional theory for vapor-liquid interfaces using the PCP-SAFT equation of state. The Journal of Chemical Physics 131:20.
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Sugata P. Tan, Hertanto Adidharma & Maciej Radosz. (2008) Recent Advances and Applications of Statistical Associating Fluid Theory. Industrial & Engineering Chemistry Research 47:21, pages 8063-8082.
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Adam Bymaster, Aleksandra Dominik & Walter G. Chapman. (2007) Hydration Structure and Interfacial Properties of Water near a Hydrophobic Solute from a Fundamental Measure Density Functional Theory. The Journal of Physical Chemistry C 111:43, pages 15823-15831.
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Aleksandra Dominik, Sandeep Tripathi & Walter G. Chapman. (2006) Bulk and Interfacial Properties of Polymers from Interfacial SAFT Density Functional Theory. Industrial & Engineering Chemistry Research 45:20, pages 6785-6792.
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Piyush Srivastava, Walter G. Chapman & Paul E. Laibinis. (2005)
Odd−Even Variations in the Wettability of
n-
Alkanethiolate Monolayers on Gold by Water and Hexadecane: A Molecular Dynamics Simulation Study
. Langmuir 21:26, pages 12171-12178.
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Dong Fu & Jianzhong Wu. (2004) Vapor−Liquid Equilibria and Interfacial Tensions of Associating Fluids within a Density Functional Theory. Industrial & Engineering Chemistry Research 44:5, pages 1120-1128.
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Sandeep Tripathi & Walter G. Chapman. (2003) Density-functional theory for polar fluids at functionalized surfaces. I. Fluid-wall association. The Journal of Chemical Physics 119:23, pages 12611-12620.
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Ming-Chih Yeh & Li-Jen Chen. (2003) Density functional approach on wetting behavior of binary associating mixtures. The Journal of Chemical Physics 118:18, pages 8331-8339.
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Sandeep Tripathi & Walter G. Chapman. (2003) A density functional approach to chemical reaction equilibria in confined systems: Application to dimerization. The Journal of Chemical Physics 118:17, pages 7993-8003.
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José Alejandre, Yurko Duda & Stefan Sokołowski. (2003) Computer modeling of the liquid–vapor interface of an associating Lennard-Jones fluid. The Journal of Chemical Physics 118:1, pages 329-336.
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Glenn T. Evans. (2002) Force correlation functions and the diffusion coefficient of water. The Journal of Chemical Physics 117:24, pages 11284-11291.
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Yang-Xin Yu & Jianzhong Wu. (2002) Structures of hard-sphere fluids from a modified fundamental-measure theory. The Journal of Chemical Physics 117:22, pages 10156-10164.
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Sudip K. Pattanayek & Vinay A. Juvekar. (2002) Prediction of Adsorption of Nonionic Polymers from Aqueous Solutions to Solid Surfaces. Macromolecules 35:25, pages 9574-9585.
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Yang-Xin Yu & Jianzhong Wu. (2002) A fundamental-measure theory for inhomogeneous associating fluids. The Journal of Chemical Physics 116:16, pages 7094-7103.
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S. J. Suresh & V. M. Naik. (2002) Theory of dielectric constant of aqueous solutions. The Journal of Chemical Physics 116:10, pages 4212-4220.
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Erich A. Müller & Keith E. Gubbins. (2001) Molecular-Based Equations of State for Associating Fluids: A Review of SAFT and Related Approaches. Industrial & Engineering Chemistry Research 40:10, pages 2193-2211.
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Orest Pizio, Andrzej Patrykiejew & Stefan Sokołowski. (2000) Evaluation of liquid–vapor density profiles for associating fluids in pores from density-functional theory. The Journal of Chemical Physics 113:23, pages 10761-10767.
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S. J. Suresh & V. M. Naik. (2000) Hydrogen bond thermodynamic properties of water from dielectric constant data. The Journal of Chemical Physics 113:21, pages 9727-9732.
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Shiqi Zhou. (2000) Inhomogeneous mixture system: A density functional formalism based on the universality of the free energy density functional. The Journal of Chemical Physics 113:19, pages 8719-8723.
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Beatriz Millan Malo, Adrian Huerta, Orest Pizio & Stefan Sokołowski. (2000) Phase Behavior of Associating Two- and Four-Bonding Sites Lennard-Jones Fluid in Contact with Solid Surfaces. The Journal of Physical Chemistry B 104:32, pages 7756-7763.
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Adrian Huerta, Orest Pizio & Stefan Sokołowski. (2000) Phase transitions in an associating, network-forming, Lennard-Jones fluid in slit-like pores. II. Extension of the density functional method. The Journal of Chemical Physics 112:9, pages 4286-4295.
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Andrzej Patrykiejew & Stefan Sokołowski. (1999) Adsorption of Associating Fluids on Solid Surfaces: Wetting Transition from Density Functional Theory. The Journal of Physical Chemistry B 103:21, pages 4466-4473.
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S. J. Suresh & V. M. Naik. (1998) A multilayer theory for interfacial properties of systems containing hydrogen bonding molecules. The Journal of Chemical Physics 109:14, pages 6021-6042.
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Yurko Duda, Chad J. Segura, Eduard Vakarin, Myroslav F. Holovko & Walter G. Chapman. (1998) Network forming fluids: Integral equations and Monte Carlo simulations. The Journal of Chemical Physics 108:21, pages 9168-9176.
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Chad J. Segura, Eduard V. Vakarin, Walter G. Chapman & M. F. Holovko. (1998) A comparison of density functional and integral equation theories vs Monte Carlo simulations for hard sphere associating fluids near a hard wall. The Journal of Chemical Physics 108:12, pages 4837-4848.
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Youri DudaDouglas HendersonBeatriz Millan-MaloOrest Pizio. (1997) Equilibrium Partitioning of a Dimerizing Fluid Through a Microporous Solid: A Monte Carlo Study of the Density Distributions and Adsorption Isotherms. The Journal of Physical Chemistry B 101:50, pages 10680-10687.
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