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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 110, 2012 - Issue 11-12: Thermodynamics 2011 Conference
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Invited Articles

Modelling the effect of methanol, glycol inhibitors and electrolytes on the equilibrium stability of hydrates with the SAFT-VR approach

Simon Dufal Department of Chemical Engineering, Centre for Process Systems Engineering, Imperial College London, South Kensington Campus, London SW7 2AZ, UK
,
Amparo Galindo Department of Chemical Engineering, Centre for Process Systems Engineering, Imperial College London, South Kensington Campus, London SW7 2AZ, UK
,
George Jackson Department of Chemical Engineering, Centre for Process Systems Engineering, Imperial College London, South Kensington Campus, London SW7 2AZ, UK
&
Andrew J. Haslam Department of Chemical Engineering, Centre for Process Systems Engineering, Imperial College London, South Kensington Campus, London SW7 2AZ, UKCorrespondence[email protected]
Pages 1223-1240 | Received 30 Nov 2011, Accepted 01 Feb 2012, Published online: 24 Apr 2012

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Alireza Baghban, Ali Jalali, Touraj Amrabadi & Golnoosh Mir Moghtadaei. (2017) Modeling of hydrate formation condition for binary gases containing methane and ethane. Energy Sources, Part A: Recovery, Utilization, and Environmental Effects 39:23, pages 2166-2172.
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Jens M.A. Schreckenberg, Simon Dufal, Andrew J. Haslam, Claire S. Adjiman, George Jackson & Amparo Galindo. (2014) Modelling of the thermodynamic and solvation properties of electrolyte solutions with the statistical associating fluid theory for potentials of variable range. Molecular Physics 112:17, pages 2339-2364.
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Articles from other publishers (26)

Milad Sharifipour & Ali Nakhaee. (2024) Molecular dynamics simulation of methane hydrates: Prediction of the phase equilibria using extracted microscopic parameters from SAFT-VR Mie EOS. Fluid Phase Equilibria 582, pages 114100.
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Panagiotis Kastanidis, George E. Romanos, Athanasios K. Stubos, Georgia Pappa, Epaminondas Voutsas & Ioannis N. Tsimpanogiannis. (2024) Evaluation of a Simplified Model for Three-Phase Equilibrium Calculations of Mixed Gas Hydrates. Energies 17:2, pages 440.
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Jesús Algaba, Miguel J. Torrejón & Felipe J. Blas. (2023) Dissociation line and driving force for nucleation of the nitrogen hydrate from computer simulation. The Journal of Chemical Physics 159:22.
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Ioannis Nikolaos Tsimpanogiannis, Emmanuel Stamatakis & Athanasios Konstantinos Stubos. (2021) Study of the Critical Pore Radius That Results in Critical Gas Saturation during Methane Hydrate Dissociation at the Single-Pore Scale: Analytical Solutions for Small Pores and Potential Implications to Methane Production from Geological Media. Energies 15:1, pages 210.
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Foroozan Keshavarzi, Jafar Javanmardi, Khashayar Nasrifar & Amir H. Mohammadi. (2021) Determination of clathrate hydrates dissociation conditions in aqueous solutions of methanol and salt using the e-NRTL based model. Fluid Phase Equilibria 546, pages 113121.
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Mengyao Di, Rui Sun, Lantao Geng & Wanjun Lu. (2021) An Accurate Model to Calculate CO2 Solubility in Pure Water and in Seawater at Hydrate–Liquid Water Two-Phase Equilibrium. Minerals 11:4, pages 393.
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Xuan Kou & Xiao-Sen Li. (2019) The SAFT for prediction of hydrate formation conditions of gas mixtures in the presence of methane, glycerol, ethylene glycol, and triethylene glycol. Energy 188, pages 116028.
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André M. Palma, António J. Queimada & João A. P. Coutinho. (2019) Modeling Hydrate Dissociation Curves in the Presence of Hydrate Inhibitors with a Modified CPA EoS. Industrial & Engineering Chemistry Research 58:41, pages 19239-19250.
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María A. Zúñiga-Hinojosa, Jeremías Martínez, Fernando García-Sánchez & Ricardo Macías-Salinas. (2019) Modeling the Hydrate Dissociation Pressure of Light Hydrocarbons in the Presence of Single NaCl, KCl, and CaCl 2 Aqueous Solutions Using a Modified Equation of State for Aqueous Electrolyte Solutions with Partial Ionization . Industrial & Engineering Chemistry Research 58:27, pages 12369-12391.
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Emanuel A. Crespo & João A. P. Coutinho. (2019) A Statistical Associating Fluid Theory Perspective of the Modeling of Compounds Containing Ethylene Oxide Groups. Industrial & Engineering Chemistry Research 58:9, pages 3562-3582.
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Muhammad S. Waseem & Nayef M. Alsaifi. (2018) Prediction of vapor-liquid-hydrate equilibrium conditions for single and mixed guest hydrates with the SAFT-VR Mie EOS. The Journal of Chemical Thermodynamics 117, pages 223-235.
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Alejandro Martínez, Víctor M. Trejos & Alejandro Gil-Villegas. (2017) Predicting adsorption isotherms for methanol and water onto different surfaces using the SAFT-VR-2D approach and molecular simulation. Fluid Phase Equilibria 449, pages 207-216.
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Xiaodong Liang, Georgios Aloupis & Georgios M. Kontogeorgis. (2017) Data Requirements and Modeling for Gas Hydrate-Related Mixtures and a Comparison of Two Association Models. Journal of Chemical & Engineering Data 62:9, pages 2592-2605.
Crossref
Patrice Paricaud. 2017. Gas Hydrates 1. Gas Hydrates 1 177 225 .
Sally El Meragawi, Nikolaos I. Diamantonis, Ioannis N. Tsimpanogiannis & Ioannis G. Economou. (2016) Hydrate – fluid phase equilibria modeling using PC-SAFT and Peng–Robinson equations of state. Fluid Phase Equilibria 413, pages 209-219.
Crossref
Ayako Fukumoto, Luiz Paulo Sales Silva, Patrice Paricaud, Didier Dalmazzone & Walter Fürst. (2015) Modeling of the dissociation conditions of H 2  + CO 2 semiclathrate hydrate formed with TBAB, TBAC, TBAF, TBPB, and TBNO 3 salts. Application to CO 2 capture from syngas. International Journal of Hydrogen Energy 40:30, pages 9254-9266.
Crossref
Vasileios K. Michalis, Joseph Costandy, Ioannis N. Tsimpanogiannis, Athanassios K. Stubos & Ioannis G. Economou. (2015) Prediction of the phase equilibria of methane hydrates using the direct phase coexistence methodology. The Journal of Chemical Physics 142:4, pages 044501.
Crossref
Ángel Vidal-Vidal, Martín Pérez-Rodríguez, Jean-Philippe Torré & Manuel M. Piñeiro. (2015) DFT calculation of the potential energy landscape topology and Raman spectra of type I CH 4 and CO 2 hydrates . Physical Chemistry Chemical Physics 17:10, pages 6963-6975.
Crossref
Saif Z. S. Al GhafriEsther ForteGeoffrey C. MaitlandJosé J. Rodriguez-Henríquez & J. P. Martin Trusler. (2014) Experimental and Modeling Study of the Phase Behavior of (Methane + CO 2 + Water) Mixtures . The Journal of Physical Chemistry B 118:49, pages 14461-14478.
Crossref
Ioannis N. Tsimpanogiannis, Nikolaos I. Diamantonis, Ioannis G. Economou, Nikolaos I. Papadimitriou & Athanassios K. Stubos. (2014) Influence of combining rules on the cavity occupancy of clathrate hydrates using van der Waals–Platteeuw-theory-based modelling. Chemical Engineering Research and Design 92:12, pages 2992-3007.
Crossref
Ayako Fukumoto, Patrice Paricaud, Didier Dalmazzone, Wassila Bouchafaa, Thi Thu-Suong Ho & Walter Fürst. (2014) Modeling the Dissociation Conditions of Carbon Dioxide + TBAB, TBAC, TBAF, and TBPB Semiclathrate Hydrates. Journal of Chemical & Engineering Data 59:10, pages 3193-3204.
Crossref
Ioannis N. Tsimpanogiannis, Ioannis G. Economou & Athanassios K. Stubos. (2014) Methane solubility in aqueous solutions under two-phase (H–Lw) hydrate equilibrium conditions. Fluid Phase Equilibria 371, pages 106-120.
Crossref
Esther Forte, Andrew J. Haslam, George Jackson & Erich A. Müller. (2014) Effective coarse-grained solid–fluid potentials and their application to model adsorption of fluids on heterogeneous surfaces. Phys. Chem. Chem. Phys. 16:36, pages 19165-19180.
Crossref
Georgios M. Kontogeorgis. (2013) Association theories for complex thermodynamics. Chemical Engineering Research and Design 91:10, pages 1840-1858.
Crossref
Esther Forte, Amparo Galindo & J.P. Martin Trusler. (2013) Experimental and molecular modelling study of the three-phase behaviour of (propane+carbon dioxide+water) at reservoir conditions. The Journal of Supercritical Fluids 75, pages 30-42.
Crossref
Hao Jiang & Hertanto Adidharma. (2012) Prediction of hydrate dissociation conditions for alkanes in the presence of alcohol and electrolyte solutions using ion-based statistical associating fluid theory. Chemical Engineering Science 82, pages 14-21.
Crossref

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