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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 79, 1993 - Issue 5
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Original Articles

A generalized van der Waals theory of solid-fluid equilibria for non-spherical molecules

E.P.A. Paras Department of Chemical Engineering, University of Massachusetts, Amherst, MA, 01003, USA
,
C. Vega Department of Chemical Engineering, University of Massachusetts, Amherst, MA, 01003, USAView further author information
&
P.A. Monson Department of Chemical Engineering, University of Massachusetts, Amherst, MA, 01003, USA
Pages 1063-1072 | Received 07 Sep 1992, Accepted 14 Dec 1992, Published online: 22 Aug 2006

Citations (29)

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Read on this site (4)

FELIPEJ. BLAS, AMPARO GALINDO & CARLOS VEGA. (2003) Study of the solid-liquid-vapour phase equilibria of flexible chain molecules using Wertheim's thermodynamic perturbation theory. Molecular Physics 101:3, pages 449-458.
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A.P. MALANOSKI, C. VEGA & P.A. MONSON. (2000) An application of cell theory to molecular models of n-alkane solids. Molecular Physics 98:6, pages 363-370.
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SHAWNC. GAY, PAULD. BEALE & JAMESC. RAINWATER. (1999) Thermodynamic perturbation theory applied to the dipolar heteronuclear dumbbell fluid. Molecular Physics 96:3, pages 301-307.
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C. Vega & P.A. Monson. (1995) Solid-liquid equilibrium for quadrupolar molecules. Molecular Physics 85:2, pages 413-421.
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Articles from other publishers (25)

Bin Chen. (2022) Extension of the Aggregation-Volume-Bias Monte Carlo Method to the Calculation of Phase Properties of Solid Systems: A Lattice-Based Cluster Approach. The Journal of Physical Chemistry A 126:32, pages 5517-5524.
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G. Pérez-Sánchez, D. González-Salgado, M. M. Piñeiro & C. Vega. (2013) Fluid-solid equilibrium of carbon dioxide as obtained from computer simulations of several popular potential models: The role of the quadrupole. The Journal of Chemical Physics 138:8.
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Carlos Vega & Jose L. F. Abascal. (2011) Simulating water with rigid non-polarizable models: a general perspective. Physical Chemistry Chemical Physics 13:44, pages 19663.
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D. Gonzalez Salgado & C. Vega. (2010) Melting point and phase diagram of methanol as obtained from computer simulations of the OPLS model. The Journal of Chemical Physics 132:9.
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J. L. Aragones & C. Vega. (2009) Plastic crystal phases of simple water models. The Journal of Chemical Physics 130:24.
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C. Vega, J. L. F. Abascal & I. Nezbeda. (2006) Vapor-liquid equilibria from the triple point up to the critical point for the new generation of TIP4P-like models: TIP4P/Ew, TIP4P/2005, and TIP4P/ice. The Journal of Chemical Physics 125:3.
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S. J. Wierzchowski & P. A. Monson. (2005) Calculating the Phase Behavior of Gas-Hydrate-Forming Systems from Molecular Models. Industrial & Engineering Chemistry Research 45:1, pages 424-431.
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M. Cao, A.P. Malanoski, J.W. Schroer & P.A. Monson. (2005) Solid–fluid equilibrium for organic molecules: understanding the link between molecular structure and phase diagrams. Fluid Phase Equilibria 228-229, pages 75-82.
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A. Galindo, C. Vega, E. Sanz, L. G. MacDowell, E. de Miguel & F. J. Blas. (2004) Computer simulation study of the global phase behavior of linear rigid Lennard-Jones chain molecules: Comparison with flexible models. The Journal of Chemical Physics 120:8, pages 3957-3968.
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Felipe J. Blas, Eduardo Sanz, Carlos Vega & Amparo Galindo. (2003) Fluid–solid equilibria of flexible and linear rigid tangent chains from Wertheim’s thermodynamic perturbation theory. The Journal of Chemical Physics 119:20, pages 10958-10971.
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C. Vega, C. McBride, E. de Miguel, F. J. Blas & A. Galindo. (2003) The phase diagram of the two center Lennard-Jones model as obtained from computer simulation and Wertheim’s thermodynamic perturbation theory. The Journal of Chemical Physics 118:23, pages 10696-10706.
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Hyung-June Woo & P. A. Monson. (2003) Mean-field theory of ice phase stability. The Journal of Chemical Physics 118:15, pages 7005-7011.
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C. Vega, F. J. Blas & A. Galindo. (2002) Extending Wertheim’s perturbation theory to the solid phase of Lennard-Jones chains: Determination of the global phase diagram. The Journal of Chemical Physics 116:17, pages 7645-7655.
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Bin Chen, J. Ilja Siepmann & Michael L. Klein. (2001) Direct Gibbs Ensemble Monte Carlo Simulations for Solid−Vapor Phase Equilibria:  Applications to Lennard−Jonesium and Carbon Dioxide. The Journal of Physical Chemistry B 105:40, pages 9840-9848.
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P. A. Monson & D. A. Kofke. 2000. Advances in Chemical Physics. Advances in Chemical Physics 113 179 .
A. P. Malanoski & P. A. Monson. (1999) Solid-fluid equilibrium in molecular models of n -alkanes . The Journal of Chemical Physics 110:1, pages 664-675.
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J. C. Rainwater. (2014) The Cell Model of Solid-Liquid Equilibria in Two and Three Dimensions: Analytic Spatial Free Volume Integration. International Journal of Thermophysics 19:6, pages 1523-1533.
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Shawn C. Gay, Paul D. Beale & James C. Rainwater. (1998) Solid-liquid equilibrium of dipolar heteronuclear hard dumbbells in a generalized van der Waals theory: Application to methyl chloride. The Journal of Chemical Physics 109:16, pages 6820-6827.
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C. Vega, B. Garzón, S. Lago & P.A. Monson. (1998) Understanding the phase diagrams of quadrupolar molecules. Journal of Molecular Liquids 76:3, pages 157-169.
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A. P. Malanoski & P. A. Monson. (1997) The high density equation of state and solid-fluid equilibrium in systems of freely jointed chains of tangent hard spheres. The Journal of Chemical Physics 107:17, pages 6899-6907.
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Carlos Vega, Fernando Bresme & José L. F. Abascal. (1996) Fluid-solid equilibrium of a charged hard-sphere model. Physical Review E 54:3, pages 2746-2760.
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X. Cottin, E.P.A. Paras, C. Vega & P.A. Monson. (1996) Solid-fluid equilibrium: new perspectives from molecular theory. Fluid Phase Equilibria 117:1-2, pages 114-125.
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W.-N. Shen & P. A. Monson. (1995) Solid-fluid equilibrium in a nonlinear hard sphere triatomic model of propane. The Journal of Chemical Physics 103:22, pages 9756-9762.
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C. Vega & P. A. Monson. (1995) Solid–fluid equilibria for quadrupolar hard dumbbells via Monte Carlo simulation. The Journal of Chemical Physics 102:3, pages 1361-1372.
Crossref
Richard P. Sear & George Jackson. (1995) The gas, liquid, and solid phases of dimerizing hard spheres and hard-sphere dumbbells. The Journal of Chemical Physics 102:2, pages 939-946.
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