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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 79, 1993 - Issue 1
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Original Articles

Numerical solution of the RHNC theory for fluids of non-spherical particles near a uniform planar wall

A study with dipolar hard spheres as an example system

M. Kinoshita Research Section of Nuclear Chemical Engineering, Institute of Atomic Energy, Kyoto University, Uji, Kyoto, 611, Japan
&
M. Harada Research Section of Nuclear Chemical Engineering, Institute of Atomic Energy, Kyoto University, Uji, Kyoto, 611, Japan
Pages 145-167 | Received 02 Jun 1992, Accepted 02 Sep 1992, Published online: 22 Aug 2006

Citations (60)

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Read on this site (4)

KEN KUWAMOTO & MASAHIRO KINOSHITA. (2000) Interaction between solute molecules in medium density solvents. Molecular Physics 98:11, pages 725-736.
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M. KINOSHITA. (1999) Interaction between macroparticles in a binary fluid mixture: anomalous effects due to the bulk composition. Molecular Physics 96:1, pages 71-80.
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Dongqing Wei. (1995) Orientational Order in Simple Polar Liquids: Effect of the Quadrupole Moment. Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals 269:1, pages 89-98.
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M. Kinoshita & M. Harada. (1994) Numerical solution of the RHNC theory for water-like fluids near a macroparticle and a planar wall. Molecular Physics 81:6, pages 1473-1488.
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Articles from other publishers (56)

Shota Arai, Akira Yoshimori, Yuka Nakamura & Ryo Akiyama. (2022) A Microscopic Theory for Preferential Solvation Effects on Viscosity. Journal of the Physical Society of Japan 91:9.
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Yuka Nakamura, Akira Yoshimori & Ryo Akiyama. (2021) Solvation effects on diffusion processes of a macromolecule: Accuracy required for radial distribution function to calculate diffusion coefficient. The Journal of Chemical Physics 154:8.
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Y. Tamura, A. Yoshimori, A. Suematsu & R. Akiyama. (2020) Reentrant crystallization of like-charged colloidal particles in an electrolyte solution: Relationship between the shape of the phase diagram and the effective potential of colloidal particles. EPL (Europhysics Letters) 129:6, pages 66001.
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Yuka Nakamura, Shota Arai, Masahiro Kinoshita, Akira Yoshimori & Ryo Akiyama. (2019) Reduced density profile of small particles near a large particle: Results of an integral equation theory with an accurate bridge function and a Monte Carlo simulation. The Journal of Chemical Physics 151:4.
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Ayumi Suematsu, Takuto Sawayama & Ryo Akiyama. (2018) Effective potential between negatively charged patches on acidic proteins immersed in various electrolyte solutions. The Journal of Chemical Physics 149:7, pages 074105.
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Yuka Nakamura, Akira Yoshimori, Ryo Akiyama & Tsuyoshi Yamaguchi. (2018) Stick boundary condition at large hard sphere arising from effective attraction in binary hard-sphere mixtures. The Journal of Chemical Physics 148:12.
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Ryo Akiyama. 2018. The Role of Water in ATP Hydrolysis Energy Transduction by Protein Machinery. The Role of Water in ATP Hydrolysis Energy Transduction by Protein Machinery 53 67 .
Masahiro Kinoshita & Tomohiko Hayashi. (2017) Entropic enrichment of cosolvent near a very large solute immersed in solvent-cosolvent binary mixture: Anomalous dependence on bulk cosolvent concentration. Journal of Molecular Liquids 247, pages 403-410.
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A. Suematsu, A. Yoshimori & R. Akiyama. (2016) Effects of interactions between depletants in phase diagrams of binary hard-sphere systems. EPL (Europhysics Letters) 116:3, pages 38004.
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Tomohiko Hayashi, Hiraku Oshima, Yuichi Harano & Masahiro Kinoshita. (2016) Water based on a molecular model behaves like a hard-sphere solvent for a nonpolar solute when the reference interaction site model and related theories are employed. Journal of Physics: Condensed Matter 28:34, pages 344003.
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Shingo Fujihara & Ryo Akiyama. (2014) Attractive interaction between macroanions mediated by multivalent cations in biological fluids. Journal of Molecular Liquids 200, pages 89-94.
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Y. Nakamura, A. Yoshimori & R. Akiyama. (2014) Effects of the solvation structure on diffusion of a large particle in a binary mixture studied by perturbation theory. Journal of Molecular Liquids 200, pages 85-88.
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Ryo Akiyama, Takumi Yamashita & Shingo Fujihara. (2014) Hidden peak of radial distribution function and effective attraction between like-charged proteins caused by translational motion of solvent molecules. Journal of Molecular Liquids 200, pages 72-76.
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R. Ishizuka & N. Yoshida. (2014) Erratum: “Application of efficient algorithm for solving six-dimensional molecular Ornstein-Zernike equation” [J. Chem. Phys. 136, 114106 (2012)]. The Journal of Chemical Physics 141:14.
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Yuka Nakamura, Akira Yoshimori & Ryo Akiyama. (2014) Perturbation Theory of Large-Particle Diffusion in a Binary Solvent Mixture. Journal of the Physical Society of Japan 83:6, pages 064601.
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Yuko Inayoshi, Akira Yoshimori & Ryo Akiyama. (2012) Perturbation Theory of Large-Particle Diffusion. Journal of the Physical Society of Japan 81:11, pages 114603.
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Yuka Nakamura, Akira Yoshimori & Ryo Akiyama. (2012) A Perturbation Theory for Friction of a Large Particle Immersed in a Binary Solvent. Journal of the Physical Society of Japan 81:Suppl.A, pages SA026.
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Ryo Akiyama & Ryo Sakata. (2011) An Integral Equation Study of Reentrant Behavior in Attractive Interactions between Like-Charged Macroions Immersed in an Electrolyte Solution. Journal of the Physical Society of Japan 80:12, pages 123602.
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Hiraku Oshima, Satoshi Yasuda, Takashi Yoshidome, Mitsunori Ikeguchi & Masahiro Kinoshita. (2011) Crucial importance of the water-entropy effect in predicting hot spots in protein–protein complexes. Physical Chemistry Chemical Physics 13:36, pages 16236.
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Hiraku Oshima, Takashi Yoshidome, Ken-ichi Amano & Masahiro Kinoshita. (2009) A theoretical analysis on characteristics of protein structures induced by cold denaturation. The Journal of Chemical Physics 131:20.
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Li Li, Li Liang-Sheng & Chen Xiao-Song. (2009) Phase Transitions in a Mixture of Hard-Sphere Dipoles and Neutral Hard Spheres. Communications in Theoretical Physics 52:3, pages 523-526.
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Yasuhito Karino & Ryo Akiyama. (2009) Effect of solvent granularity on the activity coefficient of macromolecules. Chemical Physics Letters 478:4-6, pages 180-184.
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Liang Luo & Sabine H. L. Klapp. (2009) Fluctuations in a ferrofluid monolayer: An integral equation study. The Journal of Chemical Physics 131:3.
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Yasuhito Karino, Ryo Akiyama & Masahiro Kinoshita. (2009) Three-Dimensional Density Profiles of Small and Medium Spheres near a Pair of Large Spheres: Relevance to Entropic Interaction Induced between Large Spheres. Journal of the Physical Society of Japan 78:4, pages 044801.
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Masahiro Kinoshita & Takashi Yoshidome. (2009) Molecular origin of the negative heat capacity of hydrophilic hydration. The Journal of Chemical Physics 130:14.
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Yuichi Harano, Takashi Yoshidome & Masahiro Kinoshita. (2008) Molecular mechanism of pressure denaturation of proteins. The Journal of Chemical Physics 129:14.
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Takashi Yoshidome, Masahiro Kinoshita, Shun Hirota, Naoki Baden & Masahide Terazima. (2008) Thermodynamics of apoplastocyanin folding: Comparison between experimental and theoretical results. The Journal of Chemical Physics 128:22.
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M. Marucho, C. T. Kelley & B. Montgomery Pettitt. (2008) Solutions of the Optimized Closure Integral Equation Theory:  Heteronuclear Polyatomic Fluids. Journal of Chemical Theory and Computation 4:3, pages 385-396.
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Masahiro Kinoshita. (2008) Molecular origin of the hydrophobic effect: Analysis using the angle-dependent integral equation theory. The Journal of Chemical Physics 128:2.
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O. Alarcón-Waess. (2006) Ordering in linear multipolar colloids driven by an external field. The Journal of Chemical Physics 125:6.
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Gabriel M. Range & Sabine H. L. Klapp. (2006) Pair formation and global ordering of strongly interacting ferrocolloid mixtures: An integral equation study. The Journal of Chemical Physics 124:11.
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Masahiro Kinoshita, Nobuyuki Matubayasi, Yuichi Harano & Masaru Nakahara. (2006) Pair-correlation entropy of hydrophobic hydration: Decomposition into translational and orientational contributions and analysis of solute-size effects. The Journal of Chemical Physics 124:2.
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Masahiro Kinoshita. (2005) Density and orientational structure of water around a hydrophobic solute: effects due to the solute size. Journal of Molecular Liquids 119:1-3, pages 47-54.
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Gabriel M. Range & Sabine H. L. Klapp. (2004) Demixing in simple dipolar mixtures: Integral equation versus density functional results. Physical Review E 70:3.
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Masahiro Kinoshita. 2004. Molecular Theory of Solvation. Molecular Theory of Solvation 101 168 .
Kazunori Kamio & Masahiro Kinoshita. (2001) Formation of Ordered Structure in Liquid Phase and Its Use for Materials Design. Statistical-Mechanical Analysis on Entropically Driven Formation of Ordered Structure.. KAGAKU KOGAKU RONBUNSHU 27:6, pages 683-689.
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Masahiro Kinoshita. (2000) Binary fluid mixture confined between macroparticles: surface-induced phase transition and long-range surface forces. Chemical Physics Letters 325:1-3, pages 281-287.
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Rolando Guidelli & Wolfgang Schmickler. (2000) Recent developments in models for the interface between a metal and an aqueous solution. Electrochimica Acta 45:15-16, pages 2317-2338.
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S. H. L. Klapp & G. N. Patey. (2000) Integral equation theory for dipolar hard sphere fluids with fluctuating orientational order. The Journal of Chemical Physics 112:8, pages 3832-3844.
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Sabine Klapp & Frank Forstmann. (1999) Phase behavior of aligned dipolar hard spheres: Integral equations and density functional results. Physical Review E 60:3, pages 3183-3198.
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Michael J. Booth, A.G. Schlijper, L.E. Scales & A.D.J. Haymet. (1999) Efficient solution of liquid state integral equations using the Newton-GMRES algorithm. Computer Physics Communications 119:2-3, pages 122-134.
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Andriy Kovalenko & Fumio Hirata. (1999) Self-consistent description of a metal–water interface by the Kohn–Sham density functional theory and the three-dimensional reference interaction site model. The Journal of Chemical Physics 110:20, pages 10095-10112.
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Sabine Klapp & Frank Forstmann. (1998) Crystallization of dipolar hard spheres: Density functional results. The Journal of Chemical Physics 109:3, pages 1062-1069.
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Sabine Klapp & Frank Forstmann. (1997) Phase transitions in dipolar fluids: An integral equation study. The Journal of Chemical Physics 106:23, pages 9742-9761.
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Masahiro Kinoshita, Shin-ya Iba, Ken Kuwamoto & Makoto Harada. (1996) Interaction between macroparticles in a simple model system of a nonpolar liquid containing trace amounts of water. The Journal of Chemical Physics 105:16, pages 7184-7191.
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Masahiro Kinoshita, Shin-ya Iba, Ken Kuwamoto & Makoto Harada. (1996) Interaction between macroparticles in Lennard-Jones fluids or in hard-sphere mixtures. The Journal of Chemical Physics 105:16, pages 7177-7183.
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Masahiro Kinoshita, Shin-ya Iba & Makoto Harada. (1996) Interaction between macroparticles in aqueous electrolytes. The Journal of Chemical Physics 105:6, pages 2487-2499.
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Masahiro Kinoshita & Fumio Hirata. (1996) Application of the reference interaction site model theory to analysis on surface-induced structure of water. The Journal of Chemical Physics 104:21, pages 8807-8815.
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Mitsunori Ikeguchi & Junta Doi. (1995) Direct numerical solution of the Ornstein–Zernike integral equation and spatial distribution of water around hydrophobic molecules. The Journal of Chemical Physics 103:12, pages 5011-5017.
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Enrique Díaz-Herrera & F. Forstmann. (1995) The density and polarization of an ion-dipole-electrolyte near a charged wall. The Journal of Chemical Physics 102:22, pages 9005-9017.
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A. Jamnik. (1995) Sticky spheres in adhesive pores. The Journal of Chemical Physics 102:14, pages 5811-5817.
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D. R. Bérard, M. Kinoshita, X. Ye & G. N. Patey. (1995) Structure of the metal-electrolyte solution interface: Theoretical results for simple models. The Journal of Chemical Physics 102:2, pages 1024-1033.
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B. Groh & S. Dietrich. (1994) Ferroelectric phase in Stockmayer fluids. Physical Review E 50:5, pages 3814-3833.
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Michael J. Booth, Der-Ming Duh & A. D. J. Haymet. (1994) Water near a planar interface: Atom-based integral equation theory. The Journal of Chemical Physics 101:9, pages 7925-7933.
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D. R. Bérard, M. Kinoshita, X. Ye & G. N. Patey. (1994) Structure and properties of the metal–liquid interface. The Journal of Chemical Physics 101:7, pages 6271-6280.
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B. Groh & S. Dietrich. (1994) Long-ranged orientational order in dipolar fluids. Physical Review Letters 72:15, pages 2422-2425.
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