Accuracy of different thermodynamic software packages in predicting hydrate dissociation conditions

Kodera, 2020, Physical properties and characterization of the binary clathrate hydrate with methane + 1,1,1,3,3-Pentafluoropropane (HFC-245fa) + water, J. Phys. Chem. C, 124, 10.1021/acs.jpcc.0c05565 Ripmeester, 1987, A new clathrate hydrate structure, Nature, 325, 10.1038/325135a0 Sloan, 2007 Ye. Zatsepina, 1998, Thermodynamic conditions for the stability of gas hydrate in the seafloor, J. Geophys. Res. Solid Earth, 103, 10.1029/98JB02137 Davidson, 1986, Laboratory analysis of a naturally occurring gas hydrate from sediment of the Gulf of Mexico, Geochim. Cosmochim. Acta, 50, 10.1016/0016-7037(86)90110-9 Demirbas, 2010, Methane hydrates as potential energy resource: part 2 – Methane production processes from gas hydrates, Energy Convers. Manag., 51 Makogon, 2010, Natural gas hydrates – a promising source of energy, J. Nat. Gas Sci. Eng., 2, 10.1016/j.jngse.2009.12.004 Davoodabadi, 2021, The potential of hydrogen hydrate as a future hydrogen storage medium, iScience, 24, 10.1016/j.isci.2020.101907 Gudmundsson, 1994, Storage of natural gas as frozen hydrate, SPE Product. Facilit., 9, 10.2118/24924-PA Mao, 2002, Hydrogen clusters in clathrate hydrate, Science (1979), 297 Yu, 2020, Hydrogen and chemical energy storage in gas hydrate at mild conditions, Int. J. Hydrogen Energy, 45, 10.1016/j.ijhydene.2020.03.228 Bybee, 2005, Gas-hydrate production for natural-gas storage and transportation, J. Petrol. Technol., 57, 10.2118/1105-0073-JPT D'Alessandro, 2010, Carbon dioxide capture: prospects for new materials, Angewandte Chemie Int. Ed., 49, 10.1002/anie.201000431 Aaron, 2005, Separation of CO 2 from flue gas: a review, Sep. Sci. Technol., 40 Tajima, 2004, Continuous formation of CO 2 hydrate via a Kenics-type static mixer, Energy Fuel., 18, 10.1021/ef034087w Kang, 2014, Seawater desalination by gas hydrate process and removal characteristics of dissolved ions (Na+, K+, Mg2+, Ca2+, B3+, Cl−, SO42−), Desalination, 353, 10.1016/j.desal.2014.09.007 Babu, 2014, Unusual behavior of propane as a co-guest during hydrate formation in silica sand: potential application to seawater desalination and carbon dioxide capture, Chem. Eng. Sci., 117, 10.1016/j.ces.2014.06.044 Wu, 2012, Research on cool storage and release characteristics of R134a gas hydrate with additive, Energy Build., 45, 10.1016/j.enbuild.2011.10.030 Obara, 2011, Operational planning of an engine generator using a high pressure working fluid composed of CO2 hydrate, Appl. Energy, 88, 10.1016/j.apenergy.2011.06.014 Eslamimanesh, 2012, Application of gas hydrate formation in separation processes: a review of experimental studies, J. Chem. Thermodyn., 46, 10.1016/j.jct.2011.10.006 Cha, 2010, Separation of SF 6 from gas mixtures using gas hydrate formation, Environ. Sci. Technol., 44, 10.1021/es1004818 Chatti, 2005, Benefits and drawbacks of clathrate hydrates: a review of their areas of interest, Energy Convers. Manag., 46 S. Sharma, A. Saxena, and N. Saxena, “Challenges in Gas Hydrate Formation in Oil Industry,” 2019. doi: 10.1007/978-3-030-21414-2_13. Barker, 1989, Formation of hydrates during deepwater drilling operations, J. Petrol. Technol., 41, 10.2118/16130-PA Bharathi, 2021, Experimental and modeling studies on enhancing the thermodynamic hydrate inhibition performance of monoethylene glycol via synergistic green material, Sci. Rep., 11, 10.1038/s41598-021-82056-z Kim, 2017, Prevention of methane hydrate re-formation in transport pipeline using thermodynamic and kinetic hydrate inhibitors, J. Pet. Sci. Eng., 154, 10.1016/j.petrol.2017.04.011 L, 1959 Wilcox, 1941, Natural gas hydrates, Ind. Eng. Chem., 33, 10.1021/ie50377a027 Elgibaly, 1998, A new correlation for predicting hydrate formation conditions for various gas mixtures and inhibitors, Fluid Phase Equilib., 152, 10.1016/S0378-3812(98)00368-9 J.H. van der Waals and J.C. Platteeuw, “Clathrate Solutions,” 2007. doi: 10.1002/9780470143483.ch1. McKoy, 1963, Theory of dissociation pressures of some gas hydrates, J. Chem. Phys., 38, 10.1063/1.1733625 Parrish, 1972, Dissociation pressures of gas hydrates formed by gas mixtures, Ind. Eng. Chem. Process Des. Develop., 11, 10.1021/i260041a006 Ng, 1976, The measurement and prediction of hydrate formation in liquid hydrocarbon-water systems, Ind. Eng. Chem. Fundam., 15, 10.1021/i160060a012 Gupta, 1991, A method for the simultaneous phase equilibria and stability calculations for multiphase reacting and non-reacting systems, Fluid Phase Equilib., 63 Michelsen, 1982, The isothermal flash problem. Part II. Phase-split calculation, Fluid Phase Equilib., 9 Kontogeorgis, 1996, An equation of state for associating fluids, Ind. Eng. Chem. Res., 35, 10.1021/ie9600203 Debye, 1923, The theory of electrolytes. 1.Freezing point depression and related phenomena. Translated by Michael J. Braus (2020), Physikalische Zeitschrift, 206, 185 Kontogeorgis, 2010 T.Z. Fahidy, "Activity coefficients in electrolyte solutions (2nd edition), edited by Kenneth S. Pitzer, 1991, 542 + vi pages, CRC Press, Boca Raton, FL ISBN 0-8493-5415-3. Price: US$ 195.00," Can. J. Chem. Eng., vol. 71, no. 3, Jun. 1993, doi: 10.1002/cjce.5450710328. Jiang, 2011, Hydrate equilibrium modeling for pure alkanes and mixtures of alkanes using statistical associating fluid theory, Ind. Eng. Chem. Res., 50, 12815, 10.1021/ie2014444 Mohamadi-Baghmolaei, 2018, Assessing thermodynamic models and introducing novel method for prediction of methane hydrate formation, J. Pet. Explor. Prod. Technol., 8, 1401, 10.1007/s13202-017-0415-2 Mohammadi, 2008, Gas hydrates of methane, ethane, propane, and carbon dioxide in the presence of single NaCl, KCl, and CaCl2 aqueous solutions: experimental measurements and predictions of dissociation conditions, J. Chem. Thermodyn., 40, 1693, 10.1016/j.jct.2008.06.015 Najibi, 2009, Experimental determination and prediction of methane hydrate stability in alcohols and electrolyte solutions, Fluid Phase Equilib., 275, 127, 10.1016/j.fluid.2008.09.020 Avlonitis, 1994, The determination of kihara potential parameters from gas hydrate data, Chem. Eng. Sci., 49, 10.1016/0009-2509(94)85087-9 Shock, 1988, Calculation of the thermodynamic and transport properties of aqueous species at high pressures and temperatures: correlation algorithms for ionic species and equation of state predictions to 5 kb and 1000 °C, Geochim. Cosmochim. Acta, 52, 10.1016/0016-7037(88)90181-0 Bromley, 1973, Thermodynamic properties of strong electrolytes in aqueous solutions, AIChE J., 19, 10.1002/aic.690190216 Wang, 1998, Thermodynamic properties of aqueous magnesium chloride solutions from 250 to 600 K and to 100 MPa, J. Phys. Chem. Ref. Data, 27, 10.1063/1.556026 Twu, 1995, A new generalized alpha function for a cubic equation of state Part 1. Peng-Robinson equation, Fluid Phase Equilib., 105 Twu, 1995, A new generalized alpha function for a cubic equation of state Part 2. Redlich-Kwong equation, Fluid Phase Equilib., 105 Mathias, 1983, Extension of the Peng-Robinson equation of state to complex mixtures: evaluation of the various forms of the local composition concept, Fluid Phase Equilib., 13, 10.1016/0378-3812(83)80084-3 Huron, 1979, New mixing rules in simple equations of state for representing vapour-liquid equilibria of strongly non-ideal mixtures, Fluid Phase Equilib., 3, 10.1016/0378-3812(79)80001-1 Karamoddin, 2013, Experimental measurement of phase equilibrium for gas hydrates of refrigerants, and thermodynamic modeling by SRK, VPT and CPA EOSs, J. Chem. Thermodyn., 65, 10.1016/j.jct.2013.06.001 Neau, 2009, The Soave, Twu and Boston–Mathias alpha functions in cubic equations of state. Part II. Modeling of thermodynamic properties of pure compounds, Fluid Phase Equilib., 276 Kontogeorgis, 2012, Thirty years with EoS/G E models—what have we learned?, Ind. Eng. Chem. Res., 51, 10.1021/ie2015119 Debye, 1923, Zur Theorie der Elektrolyte. I. Gefrierpunktserniedrigung und verwandte Erscheinunge (The theory of electrolytes. I. Lowering of freezing point and related phenomena), Phys. Zeitschr, 24, 185 Yezdimer, 2002, Determination of the Gibbs free energy of gas replacement in SI clathrate hydrates by molecular simulation, J. Phys. Chem. A, 106, 10.1021/jp020795r Komai, 2002, In situ observation of gas hydrate behaviour under high pressure by Raman spectroscopy, J. Phys.: Condense. Matter, 14 Park, 2006, Sequestering carbon dioxide into complex structures of naturally occurring gas hydrates, Proceed. Natl. Acad. Sci., 103, 10.1073/pnas.0602251103 Kang, 2000, Recovery of CO 2 from flue gas using gas hydrate: thermodynamic verification through phase equilibrium measurements, Environ. Sci. Technol., 34, 10.1021/es001148l D. G. and C.J.J. Elliot, “Process for separating selected components from multi-component natural gas streams,” 5660603, 1995 Chapoy, 2015, Hydrate and phase behavior modeling in CO 2 -Rich pipelines, J. Chem. Eng. Data, 60, 10.1021/je500834t Sun, 2016, Phase Equilibria for the CO 2 /CH 4 /N 2 /H 2 O system in the hydrate region under conditions relevant to storage of CO 2 in depleted natural gas reservoirs, J. Chem. Eng. Data, 61, 10.1021/acs.jced.6b00547 Sadeq, 2017, Experimental determination of hydrate phase equilibrium for different gas mixtures containing methane, carbon dioxide and nitrogen with motor current measurements, J. Nat. Gas Sci. Eng., 38, 10.1016/j.jngse.2016.12.025 Legoix, 2018, Experimental study of mixed gas hydrates from gas feed containing CH4, CO2 and N2: phase equilibrium in the presence of excess water and gas exchange, Energies (Basel), 11 le Quang, 2016, Experimental procedure and results to measure the composition of gas hydrate, during crystallization and at equilibrium, from N 2 –CO 2 –CH 4 –C 2 H 6 –C 3 H 8 –C 4 H 10 gas mixtures, Fluid Phase Equilib., 413, 10.1016/j.fluid.2015.10.022 Khan, 2018, Experimental evaluation and thermodynamic modelling of AILs alkyl chain elongation on methane riched gas hydrate system, Fluid Phase Equilib., 473, 10.1016/j.fluid.2018.07.003 Kastanidis, 2017, Two- and three-phase equilibrium experimental measurements for the ternary CH 4 + CO 2 + H 2 O mixture, Fluid Phase Equilib., 451, 10.1016/j.fluid.2017.08.002 Lim, 2017, Thermodynamic stability and guest distribution of CH4/N2/CO2 mixed hydrates for methane hydrate production using N2/CO2 injection, J. Chem. Thermodyn., 106, 10.1016/j.jct.2016.11.012 Sun, 2015, Hydrate phase equilibrium of binary guest-mixtures containing CO2 and N2 in various systems, J. Chem. Thermodyn., 84, 10.1016/j.jct.2014.12.018 Jarrahian, 2019, Hydrate–liquid–vapor equilibrium condition of N2 + CO2 + H2O system: measurement and modeling, Fuel, 237, 769, 10.1016/j.fuel.2018.10.017 Cha, 2016, Methane hydrate phase equilibria for systems containing NaCl, KCl, and NH 4 Cl, Fluid Phase Equilib., 413, 10.1016/j.fluid.2015.08.010 Hu, 2018, Gas hydrates phase equilibria for structure I and II hydrates with chloride salts at high salt concentrations and up to 200 MPa, J. Chem. Thermodyn., 117, 10.1016/j.jct.2017.06.007 Du, 2019, Experiments and prediction of phase equilibrium conditions for methane hydrate formation in the NaCl, CaCl2, MgCl2 electrolyte solutions, Fluid Phase Equilib., 479, 10.1016/j.fluid.2018.09.028 Hu, 2017, Gas hydrate formation from high concentration KCl brines at ultra-high pressures, J. Ind. Eng. Chem., 50, 10.1016/j.jiec.2017.02.007 Chong, 2017, Effect of KCl and MgCl2 on the kinetics of methane hydrate formation and dissociation in sandy sediments, Energy, 137, 10.1016/j.energy.2017.01.154 Hu, 2017, Phase equilibrium data of methane hydrates in mixed brine solutions, J. Nat. Gas Sci. Eng., 46, 750, 10.1016/j.jngse.2017.08.004