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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 102, 2004 - Issue 8
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Original Articles

Thermodynamics of simple models of associating fluids: primitive models of ammonia, methanol, ethanol and water

Luká[sbreve] Vl[cbreve]ek E. Hála Laboratory of Thermodynamics, ICPF, Academy of Sciences, 165 02 Prague, Czech Republic
&
Ivo Nezbeda * E. Hála Laboratory of Thermodynamics, ICPF, Academy of Sciences, 165 02 Prague, Czech Republic; Department of Physics, J. E. Purkyne University, 400 96 Ústí n. Lab., Czech Republic
Pages 771-781 | Received 26 Jan 2004, Accepted 01 Apr 2004, Published online: 21 Aug 2006

Citations (25)

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Read on this site (4)

Ivo Nezbeda & Jiří Škvor. (2012) Excluded volume versus hydrogen bonding: complementary or incompatible concepts?. Molecular Physics 110:24, pages 2987-2992.
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KevinR. Hadley & Clare McCabe. (2012) Coarse-grained molecular models of water: a review. Molecular Simulation 38:8-9, pages 671-681.
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Michael Rouha & Ivo Nezbeda. (2008) Thermodynamics of pseudo-hard body mixtures. Molecular Physics 106:21-23, pages 2481-2485.
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Lukáš Vl[cbreve]ek & Ivo Nezbeda. (2004) From realistic to simple models of associating fluids. II. Primitive models of ammonia, ethanol and models of water revisited. Molecular Physics 102:5, pages 485-497.
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Articles from other publishers (21)

O. Pizio, S. Sokołowski & V. M. Trejos. (2021) Phase behavior of water-like models in nanoscopic pores of slit shape. Predictions from a density functional theory. Condensed Matter Physics 24:3, pages 33601.
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Ivo Nezbeda. (2020) On Molecular-Based Equations of State: Perturbation Theories, Simple Models, and SAFT Modeling. Frontiers in Physics 8.
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Mingwei Wan, Junjie Song, Wenli Li, Lianghui Gao & Weihai Fang. (2019) Development of Coarse‐Grained Force Field by Combining Multilinear Interpolation Technique and Simplex Algorithm. Journal of Computational Chemistry 41:8, pages 814-829.
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Ivo Nezbeda & Filip Moučka. (2019) Thermodynamics of supersaturated steam: Towards an equation of state. Fluid Phase Equilibria 484, pages 114-121.
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Silvia Corezzi, Francesco Sciortino & Cristiano De Michele. (2018) Exploiting limited valence patchy particles to understand autocatalytic kinetics. Nature Communications 9:1.
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M. M. Conde, M. Rovere & P. Gallo. (2017) High precision determination of the melting points of water TIP4P/2005 and water TIP4P/Ice models by the direct coexistence technique. The Journal of Chemical Physics 147:24.
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Gianmarco Munaò & Tomaz Urbic. (2015) Structure and thermodynamics of core-softened models for alcohols. The Journal of Chemical Physics 142:21.
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Ahmadreza F. Ghobadi & J. Richard Elliott. (2014) Adapting SAFT-γ perturbation theory to site-based molecular dynamics simulation. III. Molecules with partial charges at bulk phases, confined geometries and interfaces. The Journal of Chemical Physics 141:9.
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S. Sokołowski & Y. V. Kalyuzhnyi. (2014) Re-entrant Phase Behavior in Confined Two-Patch Colloidal Particles. The Journal of Physical Chemistry B 118:30, pages 9076-9084.
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Jan Jirsák, Jiří Škvor & Ivo Nezbeda. (2014) Toward a simple molecular theory of hydrophobic hydration. Journal of Molecular Liquids 189, pages 13-19.
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Ivan Saika-Voivod, Frank Smallenburg & Francesco Sciortino. (2013) Understanding tetrahedral liquids through patchy colloids. The Journal of Chemical Physics 139:23.
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Ivo Nezbeda, Roman Melnyk & Andrij Trokhymchuk. (2011) Augmented van der Waals equations of state: SAFT-VR versus Yukawa based van der Waals equation. Fluid Phase Equilibria 309:2, pages 174-178.
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Ivo Nezbeda & Jan Jirsák. (2011) Water and aqueous solutions: simple non-speculative model approach. Physical Chemistry Chemical Physics 13:44, pages 19689.
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Jan Jirsák & Ivo Nezbeda. (2010) A note on scenarios of metastable water. Collection of Czechoslovak Chemical Communications 75:5, pages 593-605.
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Ling Zhang & J. Ilja Siepmann. (2010) Development of the trappe force field for ammonia. Collection of Czechoslovak Chemical Communications 75:5, pages 577-591.
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Shiqi Zhou. (2009) Theoretical Investigation about the Possible Consequence of Artificial Discontinuity in Pair Potential Function on Overall Phase Behavior. The Journal of Physical Chemistry B 113:25, pages 8635-8645.
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M. Rouha & I. Nezbeda. (2009) Fluids of pseudo-hard bodies: From simulations to equations of state. Fluid Phase Equilibria 278:1-2, pages 15-19.
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J. Jirsák & I. Nezbeda. (2007) Molecular-based equation of state for TIP4P water. Journal of Molecular Liquids 136:3, pages 310-316.
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Jan Jirsák & Ivo Nezbeda. (2007) Toward a statistical mechanical theory for water: Analytical theory for a short-ranged reference system. The Journal of Chemical Physics 127:12.
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J. Jirsák & I. Nezbeda. (2007) Molecular mechanisms underlying the thermodynamic properties of water. Journal of Molecular Liquids 134:1-3, pages 99-106.
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I. M. Abdulagatov, N. G. Polikhronidi, A. Abdurashidova, S. B. Kiselev & J. F. Ely. (2005) Thermodynamic Properties of Methanol in the Critical and Supercritical Regions. International Journal of Thermophysics 26:5, pages 1327-1368.
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