Citations (37)
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Pedro Morgado, Olga Lobanova, Erich A. Müller, George Jackson, Miguel Almeida & Eduardo J. M. Filipe. (2016) SAFT-γ force field for the simulation of molecular fluids: 8. Hetero-segmented coarse-grained models of perfluoroalkylalkanes assessed with new vapour–liquid interfacial tension data. Molecular Physics 114:18, pages 2597-2614.
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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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Thomas Lafitte, Carlos Avendaño, Vasileios Papaioannou, Amparo Galindo, Claire
S. Adjiman, George Jackson & Erich
A. Müller. (2012) SAFT-γ force field for the simulation of molecular fluids: 3. Coarse-grained models of benzene and hetero-group models of n-decylbenzene. Molecular Physics 110:11-12, pages 1189-1203.
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María Carolina dos Ramos & Felipe J. Blas. (2010) Theoretical investigation of the phase behaviour of model ternary mixtures containing n-alkanes, perfluoro-n-alkanes, and perfluoroalkylalkane diblock surfactants. Molecular Physics 108:10, pages 1349-1365.
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MarÍa Carolina Dos Ramos & Felipe J. Blas. (2007) Theory of phase equilibria for model mixtures of n-alkanes, perfluoroalkanes and perfluoroalkylalkane diblock surfactants. Molecular Physics 105:10, pages 1319-1334.
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Y. Peng & C. McCabe. (2007) Molecular simulation and theoretical modeling of polyhedral oligomeric silsesquioxanes. Molecular Physics 105:2-3, pages 261-272.
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Articles from other publishers (31)
Fariborz Shaahmadi, Sonja AM Smith, Cara E Schwarz, Andries J Burger & Jamie T Cripwell. (2023) Group-contribution SAFT equations of state: A review. Fluid Phase Equilibria 565, pages 113674.
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Hiroyuki Matsuda, Toru Suga, Tomoya Tsuji, Katsumi Tochigi, Kiyofumi Kurihara, Alyssa K. Nelson & Clare McCabe. (2020) Vapor-liquid equilibria for binary systems carbon dioxide + 1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)propane or 1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane at 303.15–323.15 K. Fluid Phase Equilibria 524, pages 112814.
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M. Jaber, W. Babe, E. Sauer, J. Gross, R. Lugo & J.C. de Hemptinne. (2018) An improved group contribution method for PC-SAFT applied to branched alkanes: Data analysis and parameterization. Fluid Phase Equilibria 473, pages 183-191.
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Jessica D. Haley & Clare McCabe. (2017) Predicting the phase behavior of fluorinated organic molecules using the GC-SAFT-VR equation of state. Fluid Phase Equilibria 440, pages 111-121.
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Ehsan Faramarzi & Ali Maghari. (2016) SAFT-VR modelling of the surface and bulk properties of imidazolium and pyridinium based ionic liquids with ten different anions. Journal of Molecular Liquids 224, pages 872-881.
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Gonçalo M.C. Silva, Pedro Morgado, Jessica D. Haley, Víctor Manuel Trejos Montoya, Clare McCabe, Luís F.G. Martins & Eduardo J.M. Filipe. (2016) Vapor pressure and liquid density of fluorinated alcohols: Experimental, simulation and GC-SAFT-VR predictions. Fluid Phase Equilibria 425, pages 297-304.
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Jessica D. Haley & Clare McCabe. (2016) Predicting the phase behavior of fatty acid methyl esters and their mixtures using the GC-SAFT-VR approach. Fluid Phase Equilibria 411, pages 43-52.
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Majid Sadeqzadeh, Vasileios Papaioannou, Simon Dufal, Claire S. Adjiman, George Jackson & Amparo Galindo. (2016) The development of unlike induced association-site models to study the phase behaviour of aqueous mixtures comprising acetone, alkanes and alkyl carboxylic acids with the SAFT-γ Mie group contribution methodology. Fluid Phase Equilibria 407, pages 39-57.
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Jessica D. Haley, Christopher R. Iacovella, Peter T. Cummings & Clare McCabe. (2015) Examining the aggregation behavior of polymer grafted nanoparticles using molecular simulation and theory. The Journal of Chemical Physics 143:5.
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Pedro Morgado, Gaurav Das, Clare McCabe & Eduardo J. M. Filipe. (2015) Vapor Pressure of Perfluoroalkylalkanes: The Role of the Dipole. The Journal of Physical Chemistry B 119:4, pages 1623-1632.
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Elmar Sauer, Marina Stavrou & Joachim Gross. (2014) Comparison between a Homo- and a Heterosegmented Group Contribution Approach Based on the Perturbed-Chain Polar Statistical Associating Fluid Theory Equation of State. Industrial & Engineering Chemistry Research 53:38, pages 14854-14864.
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Vasileios Papaioannou, Thomas Lafitte, Carlos Avendaño, Claire S. Adjiman, George Jackson, Erich A. Müller & Amparo Galindo. (2014) Group contribution methodology based on the statistical associating fluid theory for heteronuclear molecules formed from Mie segments. The Journal of Chemical Physics 140:5.
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Javier Vijande, Manuel M. Piñeiro & José L. Legido. (2013) Group-Contribution Method with Proximity Effect for PC-SAFT Molecular Parameters. 2. Application to Association Parameters: Primary Alcohols and Amines. Industrial & Engineering Chemistry Research 53:2, pages 909-919.
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Guadalupe Jiménez-Serratos, Alejandro Gil-Villegas, Carlos Vega & Felipe J. Blas. (2013) Monte Carlo simulation of flexible trimers: From square well chains to amphiphilic primitive models. The Journal of Chemical Physics 139:11.
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Pedro Morgado, J. Ben Lewis, Carlos M. C. Laginhas, Luís F. G. Martins, Clare McCabe, Felipe J. Blas & Eduardo J. M. Filipe. (2011) Systems Involving Hydrogenated and Fluorinated Chains: Volumetric Properties of Perfluoroalkanes and Perfluoroalkylalkane Surfactants. The Journal of Physical Chemistry B 115:50, pages 15013-15023.
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Pedro Morgado, Carlos M. C. Laginhas, J. Ben Lewis, Clare McCabe, Luís F. G. Martins & Eduardo J. M. Filipe. (2011) Viscosity of Liquid Perfluoroalkanes and Perfluoroalkylalkane Surfactants. The Journal of Physical Chemistry B 115:29, pages 9130-9139.
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Pedro Morgado, Hugo Rodrigues, Felipe J. Blas, Clare McCabe & Eduardo J.M. Filipe. (2011) Perfluoroalkanes and perfluoroalkylalkane surfactants in solution: Partial molar volumes in n-octane and hetero-SAFT-VR modelling. Fluid Phase Equilibria 306:1, pages 76-81.
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V. Papaioannou, C. S. Adjiman, G. Jackson & A. Galindo. 2011. Process Systems Engineering. Process Systems Engineering
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M. Carolina dos Ramos & Clare McCabe. (2011) On the prediction of ternary mixture phase behavior from the GC-SAFT-VR approach: 1-Pentanol+dibutyl ether+n-nonane. Fluid Phase Equilibria 302:1-2, pages 161-168.
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María Carolina dos Ramos & Felipe J. Blas. (2010) Theoretical investigation of the phase behaviour of mixtures of a novel family of perfluoroalkyl–polyoxyethylene ether diblock surfactants in aqueous solutions of carbon dioxide. The Journal of Supercritical Fluids 55:2, pages 802-816.
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Clare McCabe & Amparo Galindo. 2010. Applied Thermodynamics of Fluids. Applied Thermodynamics of Fluids
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Javier Vijande, Manuel M. Piñeiro, José L. Legido & David Bessières. (2010) Group-Contribution Method for the Molecular Parameters of the PC-SAFT Equation of State Taking into Account the Proximity Effect. Application to Nonassociated Compounds. Industrial & Engineering Chemistry Research 49:19, pages 9394-9406.
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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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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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Sugata P. Tan, Hertanto Adidharma & Maciej Radosz. (2008) Recent Advances and Applications of Statistical Associating Fluid Theory. Industrial & Engineering Chemistry Research 47:21, pages 8063-8082.
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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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Pedro Morgado, Rogério Tomás, Honggang Zhao, M. Carolina dos Ramos, Felipe J. Blas, Clare McCabe & Eduardo J. M. Filipe. (2007)
Solution Behavior of Perfluoroalkanes and Perfluoroalkylalkane Surfactants in
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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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Alejandro Martinez, Martin Castro, Clare McCabe & Alejandro Gil-Villegas. (2007) Predicting adsorption isotherms using a two-dimensional statistical associating fluid theory. The Journal of Chemical Physics 126:7.
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Honggang Zhao & Clare McCabe. (2006) Phase behavior of dipolar fluids from a modified statistical associating fluid theory for potentials of variable range. The Journal of Chemical Physics 125:10.
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