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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 100, 2002 - Issue 14
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Original Articles

Improved models for the phase behaviour of hydrogen fluoride: chain and ring aggregates in the SAFT approach and the AEOS model

A. GALINDO Department of Chemical Engineering and Chemical Technology, Imperial College of Science, Technology and Medicine, Prince Consort Road, London, SW7 2BY, UK
,
S. J. BURTON Department of Chemistry, The University of Sheffield, Sheffield, S3 7HF, UK
,
G. JACKSON Department of Chemical Engineering and Chemical Technology, Imperial College of Science, Technology and Medicine, Prince Consort Road, London, SW7 2BY, UK
,
D. P. VISCO JR Department of Chemical Engineering, Tennessee Technological University, Cookeville, TN, 38505, USA
&
D. A. KOFKE Department of Chemical Engineering, State University of New York at Buffalo, Buffalo, NY, 14260, USA
Pages 2241-2259 | Received 20 Jun 2001, Accepted 24 Jan 2002, Published online: 25 Nov 2009

Citations (48)

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S. A. Febra, A. Aasen, C. S. Adjiman, G. Jackson & A. Galindo. (2019) Intramolecular bonding in a statistical associating fluid theory of ring aggregates. Molecular Physics 117:23-24, pages 3884-3912.
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Riccardo Fantoni & Giorgio Pastore. (2015) Wertheim perturbation theory: thermodynamics and structure of patchy colloids. Molecular Physics 113:17-18, pages 2593-2607.
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Simon Dufal, Thomas Lafitte, Andrew J. Haslam, Amparo Galindo, Gary N.I. Clark, Carlos Vega & George Jackson. (2015) The A in SAFT: developing the contribution of association to the Helmholtz free energy within a Wertheim TPT1 treatment of generic Mie fluids. Molecular Physics 113:9-10, pages 948-984.
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Ane S. Avlund, Georgios M. Kontogeorgis & Walter G. Chapman. (2011) Intramolecular association within the SAFT framework. Molecular Physics 109:14, pages 1759-1769.
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H. Docherty & A. Galindo. (2006) A study of Wertheim's thermodynamic perturbation theory (TPT1) for associating fluids with dispersive interactions: the importance of the association range. Molecular Physics 104:22-24, pages 3551-3560.
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Yun Peng, Honggang Zhao & Clare Mccabe. (2006) On the thermodynamics of diblock chain fluids from simulation and heteronuclear statistical associating fluid theory for potentials of variable range. Molecular Physics 104:4, pages 571-586.
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Articles from other publishers (42)

Sashanka Sekhar Mandal, Sudhir Kumar Singh & Sandip Khan. (2023) Role of site–site interaction on the phase equilibria of multiple-site associating fluids in a functionalized slit pore. Journal of Physics: Condensed Matter 35:47, pages 475402.
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John Towne, Xiaodong Liang & Georgios M. Kontogeorgis. (2021) Application of Quantum Chemistry Insights to the Prediction of Phase Equilibria in Associating Systems. Industrial & Engineering Chemistry Research 60:16, pages 5992-6005.
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Michael P. Howard, Zachary M. Sherman, Delia J. Milliron & Thomas M. Truskett. (2021) Wertheim’s thermodynamic perturbation theory with double-bond association and its application to colloid–linker mixtures. The Journal of Chemical Physics 154:2.
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Amin Haghmoradi & Walter G. Chapman. (2019) Bond cooperativity and ring formation in hydrogen fluoride thermodynamic properties: A two-density formalism framework. The Journal of Chemical Physics 150:17.
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Ksenia Emelyanova, Igor Gotlib, Anna Shishkina, Michail Voznesenskiy & Alexey Victorov. (2016) Molecular Thermodynamic Modeling of Self-Assembly into Branches and Spatial Networks in Solution. Journal of Chemical & Engineering Data 61:12, pages 4013-4022.
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W. Zmpitas & J. Gross. (2016) Detailed pedagogical review and analysis of Wertheim's thermodynamic perturbation theory. Fluid Phase Equilibria 428, pages 121-152.
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Volker C. Weiss & Frédéric Leroy. (2016) Corresponding-states behavior of a dipolar model fluid with variable dispersion interactions and its relevance to the anomalies of hydrogen fluoride. The Journal of Chemical Physics 144:22.
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Charles V. Brand, Edward Graham, Javier Rodríguez, Amparo Galindo, George Jackson & Claire S. Adjiman. (2016) On the use of molecular-based thermodynamic models to assess the performance of solvents for CO 2 capture processes: monoethanolamine solutions . Faraday Discussions 192, pages 337-390.
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A.O. Ivanov, S.S. Kantorovich, L. Rovigatti, J.M. Tavares & F. Sciortino. (2015) Low temperature structural transitions in dipolar hard spheres: The influence on magnetic properties. Journal of Magnetism and Magnetic Materials 383, pages 272-276.
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J. M. Tavares, N. G. Almarza & M. M. Telo da Gama. (2015) Generalization of Wertheim's theory for the assembly of various types of rings. Soft Matter 11:29, pages 5828-5838.
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J. M. Tavares, N. G. Almarza & M. M. Telo da Gama. (2014) Three-dimensional patchy lattice model: Ring formation and phase separation. The Journal of Chemical Physics 140:4.
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Bennett D. Marshall, Walter G. Chapman & Margarida M. Telo da Gama. (2013) Classical density functional theory for associating fluids in orienting external fields. Physical Review E 88:6.
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Lorenzo Rovigatti, José Maria Tavares & Francesco Sciortino. (2013) Self-Assembly in Chains, Rings, and Branches: A Single Component System with Two Critical Points. Physical Review Letters 111:16.
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L. Piazza & R. Span. (2013) An equation of state for methanol including the association term of SAFT. Fluid Phase Equilibria 349, pages 12-24.
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Sofia Kantorovich, Alexey O. Ivanov, Lorenzo Rovigatti, José Maria Tavares & Francesco Sciortino. (2013) Nonmonotonic Magnetic Susceptibility of Dipolar Hard-Spheres at Low Temperature and Density. Physical Review Letters 110:14.
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Esther Forte, Felix Llovell, J.P. Martin Trusler & Amparo Galindo. (2013) Application of the statistical associating fluid theory for potentials of variable range (SAFT-VR) coupled with renormalisation-group (RG) theory to model the phase equilibria and second-derivative properties of pure fluids. Fluid Phase Equilibria 337, pages 274-287.
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Jean-Pierre Hansen & Ian R. McDonald. 2013. Theory of Simple Liquids. Theory of Simple Liquids 455 510 .
Hye Min Kim, Andrew J. Schultz & David A. Kofke. (2012) Virial Equation of State of Water Based on Wertheim’s Association Theory. The Journal of Physical Chemistry B 116:48, pages 14078-14088.
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José Maria Tavares, Lorenzo Rovigatti & Francesco Sciortino. (2012) Quantitative description of the self-assembly of patchy particles into chains and rings. The Journal of Chemical Physics 137:4.
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Seyedeh-Soghra Ashrafmansouri & Sona Raeissi. (2012) Modeling gas solubility in ionic liquids with the SAFT-γ group contribution method. The Journal of Supercritical Fluids 63, pages 81-91.
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Mohammadhasan Dinpajooh, Samuel J. Keasler, Donald G. Truhlar & J. Ilja Siepmann. (2011) Assessing group-based cutoffs and the Ewald method for electrostatic interactions in clusters and in saturated, superheated, and supersaturated vapor phases of dipolar molecules. Theoretical Chemistry Accounts 130:1, pages 83-93.
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M. Carolina dos Ramos, Jessica D. Haley, Joel R. Westwood & Clare McCabe. (2011) Extending the GC-SAFT-VR approach to associating functional groups: Alcohols, aldehydes, amines and carboxylic acids. Fluid Phase Equilibria 306:1, pages 97-111.
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Barath Baburao & Donald P. ViscoJr.Jr.. (2011) Methodology for the Development of Thermodynamic Models Describing Substances That Exhibit Complex Association Interactions. Journal of Chemical & Engineering Data 56:4, pages 1506-1525.
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Fèlix Llovell, Amparo Galindo, Felipe J. Blas & George Jackson. (2010) Classical density functional theory for the prediction of the surface tension and interfacial properties of fluids mixtures of chain molecules based on the statistical associating fluid theory for potentials of variable range. The Journal of Chemical Physics 133:2.
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Matthew J. McGrath, Julius. N. Ghogomu, Christopher J. Mundy, I-F. Will Kuo & J. Ilja Siepmann. (2010) First principles Monte Carlo simulations of aggregation in the vapor phase of hydrogen fluoride. Physical Chemistry Chemical Physics 12:27, pages 7678.
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Yun Peng, Kimberly D. Goff, M. Carolina dos Ramos & Clare McCabe. (2009) Developing a predictive group-contribution-based SAFT-VR equation of state. Fluid Phase Equilibria 277:2, pages 131-144.
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M. Pollock, C. S. Adjiman, A. Galindo, G. Jackson & E. J. M. Filipe. (2009) Integrated Modeling of Mixture Fluid Phase Equilibrium Experiments Using SAFT-VR Applied to Xenon + Diborane, Xenon + Cyclopropane, Xenon + Boron Trifluoride. Industrial & Engineering Chemistry Research 48:4, pages 2188-2198.
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María Carolina dos Ramos, Hugh Docherty, Felipe J. Blas & Amparo Galindo. (2009) Application of the generalised SAFT-VR approach for long-ranged square-well potentials to model the phase behaviour of real fluids. Fluid Phase Equilibria 276:2, pages 116-126.
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Alexandros Lymperiadis, Claire S. Adjiman, George Jackson & Amparo Galindo. (2008) A generalisation of the SAFT- group contribution method for groups comprising multiple spherical segments. Fluid Phase Equilibria 274:1-2, pages 85-104.
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Gary N. I. ClarkAmparo GalindoGeorge JacksonSteve RogersAndrew N. Burgess. (2008) Modeling and Understanding Closed-Loop Liquid−Liquid Immiscibility in Aqueous Solutions of Poly(ethylene glycol) Using the SAFT-VR Approach with Transferable Parameters. Macromolecules 41:17, pages 6582-6595.
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Alexandros Lymperiadis, Claire S. Adjiman, Amparo Galindo & George Jackson. (2007) A group contribution method for associating chain molecules based on the statistical associating fluid theory (SAFT-γ). The Journal of Chemical Physics 127:23.
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Guy J. Gloor, George Jackson, F. J. Blas, E. Martín del Río & E. de Miguel. (2007) Prediction of the Vapor−Liquid Interfacial Tension of Nonassociating and Associating Fluids with the SAFT-VR Density Functional Theory. The Journal of Physical Chemistry C 111:43, pages 15513-15522.
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Honggang Zhao, M. Carolina dos Ramos & Clare McCabe. (2007) Development of an equation of state for electrolyte solutions by combining the statistical associating fluid theory and the mean spherical approximation for the nonprimitive model. The Journal of Chemical Physics 126:24, pages 244503.
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Pedro Morgado, Honggang Zhao, Felipe J. Blas, Clare McCabe, Luís Paulo N. Rebelo & Eduardo J. M. Filipe. (2007) Liquid Phase Behavior of Perfluoroalkylalkane Surfactants. The Journal of Physical Chemistry B 111:11, pages 2856-2863.
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Barath Baburao & Donald P. Visco. (2006) Isothermal Compressibility Maxima of Hydrogen Fluoride in the Supercritical and Superheated Vapor Regions. The Journal of Physical Chemistry B 110:51, pages 26204-26210.
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Honggang Zhao, Pedro Morgado, Alejandro Gil-Villegas & Clare McCabe. (2006) Predicting the Phase Behavior of Nitrogen + n -Alkanes for Enhanced Oil Recovery from the SAFT-VR Approach:  Examining the Effect of the Quadrupole Moment . The Journal of Physical Chemistry B 110:47, pages 24083-24092.
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Jean-Pierre Hansen & Ian R. McDonald. 2006. Theory of Simple Liquids. Theory of Simple Liquids 341 392 .
Saravanan Swaminathan & Donald P. Visco. (2005) Thermodynamic Modeling of Refrigerants Using the Statistical Associating Fluid Theory with Variable Range. 1. Pure Components. Industrial & Engineering Chemistry Research 44:13, pages 4798-4805.
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Volker C. Weiss & Wolffram Schröer. (2005) Anomalous corresponding-states surface tension of hydrogen fluoride and of the Onsager model. The Journal of Chemical Physics 122:8.
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Guy J. Gloor, George Jackson, Felipe J. Blas, Elvira Martı́n del Rı́o & Enrique de Miguel. (2004) An accurate density functional theory for the vapor-liquid interface of associating chain molecules based on the statistical associating fluid theory for potentials of variable range. The Journal of Chemical Physics 121:24, pages 12740-12759.
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Christina M. Smith & Donald P. Visco. (2004) Evaluating the Thermodynamic Consistency of Experimental Data for HF + H 2 O at 101.325 kPa . Journal of Chemical & Engineering Data 49:2, pages 306-310.
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Scott J. Wierzchowski & David A. Kofke. (2003) Liquid-Phase Activity Coefficients for Saturated HF/H 2 O Mixtures with Vapor-Phase Nonidealities Described by Molecular Simulation . Industrial & Engineering Chemistry Research 43:1, pages 218-227.
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