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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 52, 1984 - Issue 4
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Original Articles

Choosing the reference system for liquid state perturbation theory

Pages 871-876 | Received 20 Jan 1984, Accepted 10 Feb 1984, Published online: 22 Aug 2006

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

Read on this site (9)

LuísE.S. de Souza & Dor Ben-Amotz. (1993) Optimized perturbed hard sphere expressions for the structure and thermodynamics of Lennard-Jones fluids. Molecular Physics 78:1, pages 137-149.
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AsokK. Sen & Raj Rajagopalan. (1991) Inversion of Structural Data for Effective Potentials in Dense Liquids and Colloids. Physics and Chemistry of Liquids 22:4, pages 195-203.
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Carlos Vega & Santiago Lago. (1991) Structural study of the angle-averaged soft Kihara potential for linear molecular models. Molecular Physics 72:1, pages 215-228.
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M.-E. Boudh-Hir. (1988) A self-consistent treatment of a fluid in an external potential. Molecular Physics 64:3, pages 437-444.
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F. Lado. (1984) Thermodynamically consistent perturbation theory for molecular fluids. Molecular Physics 53:2, pages 363-368.
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Articles from other publishers (73)

B.P. Akhouri & J.R. Solana. (2022) Thermodynamic properties of Ar, Kr and Xe from a Monte Carlo-based perturbation theory with an effective two-body Lennard-Jones potential. Physica A: Statistical Mechanics and its Applications 608, pages 128280.
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Faizyab Ahmad & Shankar P. Das. (2022) Metastable states of microgel fluids with Hertzian interaction potentials. Physica A: Statistical Mechanics and its Applications 608, pages 128262.
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Prakash Vardhan & Shankar P. Das. (2022) Complexity calculation for an amorphous metastable solid. Journal of Non-Crystalline Solids 597, pages 121744.
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Eman Attia, Jeppe C. Dyre & Ulf R. Pedersen. (2022) Comparing four hard-sphere approximations for the low-temperature WCA melting line. The Journal of Chemical Physics 157:3.
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J. García Cárdenas & J. Ancheyta. (2022) Modeling of the Deasphalting Process by a Residue–Solvent Equilibrium Calculation Using Continuous Thermodynamics. Industrial & Engineering Chemistry Research 61:9, pages 3383-3394.
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Arijit Mondal. (2020) Configuraional Entropy of a parabolic potential system: A density functional approach. Physica Scripta 96:2, pages 025703.
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Tiejun Xiao & Xueyu Song. (2017) A molecular Debye-Hückel theory of solvation in polar fluids: An extension of the Born model. The Journal of Chemical Physics 147:21.
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Arijit Mondal, Leishangthem Premkumar & Shankar P. Das. (2017) Dependence of the configurational entropy on amorphous structures of a hard-sphere fluid. Physical Review E 96:1.
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Yanping Li, Chenglong Zhang, Chengxiang Li, Zhicheng Liu & Wei Ge. (2017) Simulation of the effect of coke deposition on the diffusion of methane in zeolite ZSM-5. Chemical Engineering Journal 320, pages 458-467.
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Leishangthem Premkumar & Shankar P Das. (2016) Fragility index of a simple liquid from structural inputs. Journal of Statistical Mechanics: Theory and Experiment 2016:9, pages 093302.
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Leishangthem Premkumar, Neeta Bidhoodi & Shankar P. Das. (2016) Linking density functional and mode coupling models for supercooled liquids. The Journal of Chemical Physics 144:12.
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Premkumar Leishangthem & Shankar P. Das. (2015) Vibrational density of states in the disordered solid using classical density functional model. Physics Letters A 379:16-17, pages 1073-1080.
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Ryan Jadrich & Kenneth S. Schweizer. (2013) Equilibrium theory of the hard sphere fluid and glasses in the metastable regime up to jamming. II. Structure and application to hopping dynamics. The Journal of Chemical Physics 139:5.
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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.
Jean-Pierre Hansen & Ian R. McDonald. 2013. Theory of Simple Liquids. Theory of Simple Liquids 149 202 .
Sunil P Singh & Shankar P Das. (2012) The hopping process of a vacancy defect in a crystal. Journal of Statistical Mechanics: Theory and Experiment 2012:10, pages P10016.
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S. M. MOTEVALLI, M. R. PAHLAVANI & M. AZIMI. (2012) THEORETICAL INVESTIGATIONS OF PROPERTIES OF HYDROGEN AND HELIUM MIXTURE BASED ON PERTURBATION THEORY. International Journal of Modern Physics B 26:15, pages 1250103.
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Yu. T. Pavlyukhin. (2012) Thermodynamic perturbation theory of simple liquids: Monte Carlo simulation of a hard sphere system and the Helmholtz free energy of SW fluids. Journal of Structural Chemistry 53:3, pages 476-486.
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Lavanya Mohan & Roger T. Bonnecaze. (2012) Short-ranged pair distribution function for concentrated suspensions of soft particles. Soft Matter 8:15, pages 4216.
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Tiejun Xiao & Xueyu Song. (2011) A molecular Debye-Hückel theory and its applications to electrolyte solutions. The Journal of Chemical Physics 135:10.
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Yu. T. Pavlyukhin. (2011) Thermodynamic perturbation theory of simple liquids. A hierarchy of equations for expansion coefficients. Journal of Structural Chemistry 52:4, pages 726-736.
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N.E. Dubinin, A.A. Yuryev & N.A. Vatolin. (2011) Straightforward calculation of the WCA entropy and internal energy for liquid metals. Thermochimica Acta 518:1-2, pages 9-12.
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James F. Lutsko. 2010. Advances in Chemical Physics. Advances in Chemical Physics 1 92 .
Paul J. ScottReginald W. Smith. (2009) Implementation of a perturbation model for a dilute binary liquid and comparison of model mass diffusion coefficients with microgravity experiment results for liquid Pb 1 wt % Au. Canadian Journal of Physics 87:8, pages 933-944.
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Shiqi Zhou & J. R. Solana. (2009) Progress in the Perturbation Approach in Fluid and Fluid-Related Theories. Chemical Reviews 109:6, pages 2829-2858.
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Yu. T. Pavlyukhin. (2009) Thermodynamic perturbation theory of simple liquids. Journal of Structural Chemistry 50:3, pages 446-455.
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Afshin Eskandari Nasrabad. (2008) Thermodynamic and transport properties of the Weeks–Chandler–Andersen fluid: Theory and computer simulation. The Journal of Chemical Physics 129:24.
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K. H. Tsai & Ten-Ming Wu. (2008) Hard-sphere perturbation theory for a model of liquid Ga. The Journal of Chemical Physics 129:2.
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R. Ravi & V. Guruprasad. (2008) Lennard-Jones Fluid and Diffusivity:  Validity of the Hard-Sphere Model for Diffusion in Simple Fluids and Application to CO 2 . Industrial & Engineering Chemistry Research 47:4, pages 1297-1303.
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C.M. Silva & H. Liu. 2008. Theory and Simulation of Hard-Sphere Fluids and Related Systems. Theory and Simulation of Hard-Sphere Fluids and Related Systems 383 492 .
Yu. T. Pavlyukhin. (2007) Radial distribution function of a hard-sphere fluid for the nearest neighbor surroundings. Journal of Structural Chemistry 48:6, pages 1073-1081.
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Jeetain Mittal, Jeffrey R. Errington & Thomas M. Truskett. (2007) Relationships between Self-Diffusivity, Packing Fraction, and Excess Entropy in Simple Bulk and Confined Fluids. The Journal of Physical Chemistry B 111:34, pages 10054-10063.
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Sunil P. Singh & Shankar P. Das. (2007) Perturbation theory for classical solids with vacancy defects. Physical Review B 75:14.
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Sunil P. Singh & Shankar P. Das. (2007) A density functional model for the binary crystal of hard spheres with vacancies. The Journal of Chemical Physics 126:6.
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Sunil P. Singh & Shankar P. Das. (2006) Stability of amorphous structures with voids. Journal of Non-Crystalline Solids 352:42-49, pages 4857-4861.
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Rozita Laghaei, Afshin Eskandari Nasrabad & Byung Chan Eu. (2006) Excluded volume in the generic van der Waals equation of state and the self-diffusion coefficient of the Lennard-Jones fluid. The Journal of Chemical Physics 124:15.
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Patrice Paricaud. (2006) A general perturbation approach for equation of state development: Applications to simple fluids, ab initio potentials, and fullerenes . The Journal of Chemical Physics 124:15.
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Jean-Pierre Hansen & Ian R. McDonald. 2006. Theory of Simple Liquids. Theory of Simple Liquids 109 146 .
V. Senthil Kumar & V. Kumaran. (2005) Voronoi neighbor statistics of hard-disks and hard-spheres. The Journal of Chemical Physics 123:7.
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Sunil P. Singh, Charanbir Kaur & Shankar P. Das. (2005) Optimum vacancy concentration in a crystal. Physical Review E 72:2.
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L.A.F. Coelho. (2005) An one parameter model to predict shear viscosity of dense fluids. The Journal of Supercritical Fluids 34:2, pages 243-248.
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Fernando O Raineri, George Stell & Dor Ben-Amotz. (2004) Progress in thermodynamic perturbation theory and self-consistent Ornstein–Zernike approach relevant to structural-arrest problems. Journal of Physics: Condensed Matter 16:42, pages S4887-S4900.
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Dor Ben-Amotz & George Stell. (2004) Reformulation of Weeks−Chandler−Andersen Perturbation Theory Directly in Terms of a Hard-Sphere Reference System. The Journal of Physical Chemistry B 108:21, pages 6877-6882.
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Dor Ben-Amotz & George Stell. (2004) Hard sphere perturbation theory for fluids with soft-repulsive-core potentials. The Journal of Chemical Physics 120:10, pages 4844-4851.
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Dor Ben-Amotz & George Stell. (2003) Analytical implementation and critical tests of fluid thermodynamic perturbation theory. The Journal of Chemical Physics 119:20, pages 10777-10788.
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Hongqin Liu, Carlos M. Silva & Eugénia A. Macedo. (2002) Generalised free-volume theory for transport properties and new trends about the relationship between free volume and equations of state. Fluid Phase Equilibria 202:1, pages 89-107.
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Charanbir Kaur & Shankar P. Das. (2002) Metastable structures with modified weighted density-functional theory. Physical Review E 65:2.
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Charanbir Kaur & Shankar P Das. (2001) Stability of amorphous structures with voids. Journal of Physics: Condensed Matter 13:33, pages 7259-7269.
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Charanbir Kaur & Shankar P. Das. (2001) Heterogeneities in Supercooled Liquids: A Density-Functional Study. Physical Review Letters 86:10, pages 2062-2065.
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A.S Chauhan, R Ravi & R.P Chhabra. (2000) Self-diffusion in liquid metals. Chemical Physics 252:1-2, pages 227-236.
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F. Charlet, M.-L. Turkel, J.-F. Danel & L. Kazandjian. (1998) Evaluation of various theoretical equations of state used in calculation of detonation properties. Journal of Applied Physics 84:8, pages 4227-4238.
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Hongqin Liu, Carlos M. Silva & Eugénia A. Macedo. (1998) Unified approach to the self-diffusion coefficients of dense fluids over wide ranges of temperature and pressure—hard-sphere, square-well, Lennard–Jones and real substances. Chemical Engineering Science 53:13, pages 2403-2422.
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G. Pastore, O. Akinlade, F. Matthews & Z. Badirkhan. (1998) Optimized random-phase approximations for arbitrary reference systems: Extremum conditions and thermodynamic consistence. Physical Review E 57:1, pages 460-464.
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Carlos M. Silva, Hongqin Liu & Eugénia A. Macedo. (1998) Comparison between Different Explicit Expressions of the Effective Hard Sphere Diameter of Lennard-Jones Fluid:  Application to Self-Diffusion Coefficients. Industrial & Engineering Chemistry Research 37:1, pages 221-227.
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Eli Ruckenstein & Hongqin Liu. (1997) Self-Diffusion in Gases and Liquids. Industrial & Engineering Chemistry Research 36:9, pages 3927-3936.
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Raj Rajagopalan & K. Srinivasa Rao. (1997) Interaction forces in charged colloids: Inversion of static structure factors. Physical Review E 55:4, pages 4423-4432.
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Dmitry V. Matyushov & Roland Schmid. (1996) Calculation of Lennard-Jones energies of molecular fluids. The Journal of Chemical Physics 104:21, pages 8627-8638.
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Thierry Masson & Luc Kazandjian. (1993) A note about the comparison of the WCA and self-consistent WCA perturbation methods. The Journal of Chemical Physics 99:3, pages 2275-2276.
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F. Cuadros & A. Mulero. (1992) A validity test of the WCA perturbation theory for two-dimensional Lennard-Jones fluids. Chemical Physics 160:3, pages 375-382.
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F. Cuadros & A. Mulero. (1992) The radial distribution function for two-dimensional Lennard-Jones fluids: Computer simulation results. Chemical Physics 159:1, pages 89-97.
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F. Cuadros & A. Mulero. (1991) Scaling the WCA reference system for two-dimensional Lennard-Jones fluids. Chemical Physics 156:1, pages 33-41.
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Gerhard Kahl. (1990) Nonadditive hard-sphere reference system for a perturbative liquid state theory of binary systems. The Journal of Chemical Physics 93:7, pages 5105-5117.
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G. Kahl. (1990) A WCA study of binary liquid metal alloys with a non-additive hard-sphere reference system. Journal of Non-Crystalline Solids 117-118, pages 124-127.
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G. Kahl. (1990) Hard-sphere yukawa reference system for soft spheres. Journal of Non-Crystalline Solids 117-118, pages 104-107.
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M.-E. Boudh-Hir. (1988) New developments for a repulsive external potential. Self-consistent treatments. Physica A: Statistical Mechanics and its Applications 151:2-3, pages 370-384.
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Hong Seok Kang, Taikyue Ree & Francis H. Ree. (1986) A perturbation theory of classical solids. The Journal of Chemical Physics 84:8, pages 4547-4557.
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Hong Seok Kang, Choong Sik Lee, Taikyue Ree & Francis H. Ree. (1985) A perturbation theory of classical equilibrium fluids. The Journal of Chemical Physics 82:1, pages 414-423.
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José Ramón Solana Quirós & Binay Akhouri. (2022) Thermodynamic Properties of Ar, Kr and Xe from a Monte Carlo- Based Perturbation Theory with an Effective Two-Body Lennard-Jones Potential. SSRN Electronic Journal.
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