An Equation of State for thermodynamic equilibrium of gas mixtures and brines to allow simulation of the effects of impurities in subsurface CO2 storage

International Journal of Greenhouse Gas Control

Volumn 11, Issue SUPPL, 2012, Pages 21-34

  Ziabakhsh Ganji, Zaman ^a   Kooi, Henk ^a  

^a VU UNIVERSITY AMSTERDAM   (Netherlands)

Author keywords

Activity coefficient; Brine; Carbon Capture and Storage (CCS); Equation of State (EOS); Solubility; Thermodynamic model

Indexed keywords

ACTIVITY COEFFICIENTS; AQUIFERS; BRINES; CARBON CAPTURE; CARBON DIOXIDE; DIGITAL STORAGE; EQUATIONS OF STATE OF GASES; GAS MIXTURES; HYDROGEOLOGY; PETROLEUM RESERVOIRS; SOLUBILITY; THERMODYNAMIC PROPERTIES;

CARBON CAPTURE AND STORAGES (CCS); DEPLETED GAS RESERVOIR; EFFECTS OF IMPURITIES; EQUATION OF STATE; PRELIMINARY ANALYSIS; THERMODYNAMIC EQUILIBRIA; THERMODYNAMIC MODEL; TRANSPORT PROCESS;

GASES;

ACTIVITY COEFFICIENT; AQUIFER; BRINE; CARBON DIOXIDE; CARBON SEQUESTRATION; COMPUTER SIMULATION; EQUATION OF STATE; GAS PHASE REACTION; HYDROGEN SULFIDE; METHANE; NUMERICAL MODEL; SOLUBILITY; SULFUR DIOXIDE; THERMODYNAMIC PROPERTY; TRANSPORT PROCESS;

EID: 84869208406     PISSN: 17505836     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijggc.2012.07.025     Document Type: Article

References (93)

1. AAAS (The American Association for the Advancement of Science) Carbon sequestration. Science 2009, 325:1644-1645.
2. Akinfiev N.N., Diamond L.W. Thermodynamic description of aqueous nonelectrolytes at infinite dilution over a wide range of state parameters. Geochimica et Cosmochimica Acta 2003, 67(4):613-627.
3. Amirijafari B., Campbell J.M. Solubility of gaseous hydrocarbon mixtures in water. Society of Petroleum Engineers Journal 1972, 1(1):21-27.
4. Alvarez J., Prini R.F. A semiempirical procedure to describe the thermodynamics of dissolution of non-polar gases in water. Fluid Phase Equilibria 1991, 66:309-326.
5. 2 injection into a carbonate reservoir, the Dogger aquifer (Paris Basin, France). Energy Conversion and Management 2007, 48:1782-1797.
6. AQUAlibrium, FlowPhase, 2010. Calgary, http://www.telusplanet.net/public/jcarroll/AQUA.HTM.
7. 2 sequestration capacity in solution in deep saline aquifers. Energy Conversion and Management 2003, 44(20):3151-3175.
8. 2 storage in geological media: role, means, status and barriers to deployment. Progress in Energy and Combustion Science 2008, 34:254-273.
9. Battistelli A., Ceragioli P., Marcolini M. Injection of acid gas mixtures in sour oil reservoirs: analysis of near-wellbore processes with coupled modeling of well and reservoir flow. Transport in Porous Media 2011, 90:233-251.
10. Battistelli A., Marcolini M. TMGAS: a new TOUGH2 EOS module for the numerical simulation of gas mixtures injection in geological structures. International Journal of Greenhouse Gas Control 2009, 3:481-493.
11. 2 storage in deep saline aquifers: a sensitivity study on pressure response in stratified systems. International Journal of Greenhouse Gas Control 2009, 3:181-194.
12. Blanco L.H., Smith N.O. High-pressure solubility of methane in aqueous calcium-chloride and aqueous tetraethylammonium bromidepartial molar properties of dissolved methane and nitrogen in relation to water-structure. Journal of Physical Chemistry 1978, 8(2):186-191.
13. Blount, C.W., Price, L.C., 1982. Solubility of methane in water under natural conditions: a laboratory study. DOE Contract No. DE-A508-78ET12145, Final Report.
14. Chapoy A., Mohammadi A.H., Tohidi B., Richon D. Gas solubility measurement and modeling for the nitrogen plus water system from 274.18K to 363.02K. Journal of Chemical and Engineering Data 2004, 49:1110-1115.
15. Chapoy A., Mohammadi A.H., Tohidi B., Richon D. Estimation of water content for methane+water and methane+ethane+n-butane+water systems using a new sampling device. Journal of Chemical and Engineering Data 2005, 50:1157-1161.
16. Cramer S.D. Solubility of methane in brines from 0-degrees-C to 300-degrees-C. Industrial & Engineering Chemistry Process Design and Development 1984, 2(3):533-538.
17. Crovetto R., Fernandez-Prini R., Japas M.L. Contribution of the cavity-formation or hard-sphere term to the solubility of simple gases in water. Journal of Physical Chemistry 1982, 8(21):4094-4095.
18. Culberson O.L., Mcketta J.J. Phase equilibria in hydrocarbonwater systems 3. The solubility of methane in water at pressures to 10,000 Psia. Transactions of the American Institute of Mining and Metallurgical Engineers 1951, 192:223-226.
19. Culberson O.L., Horn A.B., Mcketta J.J. Phase equilibria in hydrocarbon-water systems: the solubility of ethane in water at pressures to 1200 pounds per square inch. Transactions of the American Institute of Mining and Metallurgical Engineers 1950, 189:1-6.
20. Danesh A. PVT and Phase Behavior of Petroleum Reservoir Fluids 1998, Elsevier.
21. Dhima A., Hemptinne J.C.D., Moracchini G. Solubility of light hydrocarbons and their mixtures in pure water under high pressure. Fluid Phase Equilibria 1998, 145:129-150.
22. Dodson C.R., Standing M.B. Pressure-volume-temperature and solubility relations for natural gas-water mixtures. Drilling and Production Practice, API 1944, 173-178.
23. Drummond, S.E., 1981. Boiling and mixing of hydrothermal fluids: chemical effects on mineral precipitation. Ph.D. Dissertation. Pennsylvania State University, State College, PA.
24. Duan Z., Mao S. A thermodynamic model for calculating methane solubility, density and gas phase composition of methane-bearing aqueous fluids from 273 to 523K and from 1 to 2000bar. Geochimica et Cosmochimica Acta 2006, 70:3369-3386.
25. 2 solubility in pure water and aqueous NaCl solutions from 273 to 533K and from 0 to 2000bar. Chemical Geology 2003, 193:257-271.
26. 2S solubility in pure water and brines. Energy & Fuels 2007, 21:2056-2065.
27. 2 at room temperatures and at pressures below 1000 psia. Geochimica et Cosmochimica Acta 1961, 2(1-2):23-31.
28. Fine R.A., Millero F.J. Compressibility of water as a function of temperature and pressure. Journal of Chemical Physics 1973, 59(10):5529-5536.
29. 2 storage in sedimentary rocks. International Journal of Greenhouse Gas Control 2010, 4:73-89.
30. 2 injection in an exploited gas reservoir. Transport in Porous Media 2011, 90:183-200.
31. Ghaderi S.M., Keith D.W., Lavoie R., Leonenko Y. Evolution of hydrogen sulfide in sour saline aquifers during carbon dioxide sequestration. International Journal of Greenhouse Gas Control 2011, 5(2):347-355.
32. Gillespie, P.C., Wilson, G.M., 1982. Vapor-liquid and liquid-liquid equilibria: water-methane, water-carbon dioxide, water-hydrogen sulfide, water-n-pentane, water-methane-n-pentane. Research report RR-48, Gas Processors Association, Tulsa, OK.
33. Goodman J.B., Krase N.W. Solubility of nitrogen in water at high pressures and temperatures. Industrial and Engineering Chemistry 1931, 23(4):401-404.
34. Gunter W.D., Perkins E.H., Hutcheon I. Aquifer disposal of acid gases: modeling of water-rock reactions for trapping of acid wastes. Applied Geochemistry 2000, 15:1085-1095.
35. 2 geological storage. International Journal of Greenhouse Gas Control 2008, 2:65-77.
36. Huang S.S., Leu A.D., Ng H.I., Robinson D.B. The phase behaviour of two mixtures of methane, carbon dioxide, Hydrogen sulfide, and water. Fluid Phase Equilibria 1985, 19:21-32.
37. IPCC Contribution of Working Group I to the Fourth Assessment Report of the Intergovernmental Panel on Climate Change 2007, Cambridge University Press, Cambridge, United Kingdom/New York. S. Solomon, D. Qin, M. Manning, Z. Chen, M. Marquis, K.B. Averyt, M. Tignor, H.L. Miller (Eds.).
38. 2 streams containing associated components - a review of the thermodynamic and geochemical properties and assessment of some reactive transport codes. Energy Procedia 2009, 1:3739-3746.
39. Kiepe J., Horstmann S., Fischer K., Gmehling J. Experimental determination and prediction of gas solubility data for methane+water solutions containing different monovalent electrolytes. Industrial and Engineering Chemistry Research 2003, 42:5392-5398.
40. King M.B., Mubarak A., Kim J.D., Bott T.R. The mutual, solubilities of water with supercritical and liquid carbon dioxide. Journal of Supercritical Fluids 1992, 5:296-302.
41. 2. Chemical Geology 2005, 217:339-350.
42. Lee J.I., Mather A.E. Solubility of hydrogen sulfide in water. Berichte der Bunsen-Gesellschaft Physical Chemistry Chemical Physics 1977, 81:1020-1023.
43. Lekvam K., Bishnoi P.R. Dissolution of methane in water at low temperatures and intermediate pressures. Fluid Phase Equilibria 1997, 131:297-309.
44. 2 capture and storage processes. Applied Energy 2009, 86:826-836.
45. 2O-NaCl system. Fluid Phase Equilibria 2006, 248:103-114.
46. Michels A., Gerver J., Bijl A. The influence of pressure on the solubility of gases. Physica 1936, 3:797-808.
47. Muller G., Bender E., Maurer G. Das Dampf-Flussigkeits gleichgewicht des ternaren Systems Ammoniak-Kohlendioxid- Wasser bei holen Wassergehalten im Bereich zwischen 373 und 473K. Ber. Bunsenges. Phys. Chem. 1988, 92:148-160.
48. Namiot Yu.A., Bondareva M.M. Rastvorimost' gazov v vode 1959, Gostekhizdat (Quoted in Mao, S., Duan, Z., 2006), Moscow, (In Russian).
49. Namiot A.Y., Skripka V.G., Ashmyan K.D. Influence of water dissolved salt upon methane solubility under the temperatures 50 to 350-degrees-C. Geokhimiya 1979, 1:147-149.
50. Nighswander J.A., Kalogerakis N., Mehrotra A.K. Solubilities of carbon dioxide in water and 1wt.% NaCl solution at pressures up to 10MPa and temperatures from 80 to 200°C. J. Chem. Eng. Data 1989, 34:355-360.
51. Oldenburg C.M., Bryant S.L., Nicot J. Certification framework based on effective trapping for geological carbon sequestration. International Journal of Greenhouse Gas Control 2009, 3:444-457.
52. Olds R.H., Sage B.H., Lacey W.H. Phase equilibria in hydrocarbon systems: composition of the dew-point gas of the methane-water system. Industrial and Engineering Chemistry Research 1942, 34(10):1223-1227.
53. O'Sullivan T.D., Smith N.O. Solubility and partial molar volume of nitrogen and methane in water and in aqueous sodium chloride from 50 to 125 degrees and 100 to 600atm. Journal of Physical Chemistry 1970, 74(7):1460-1466.
54. Peng D.Y., Robinson D.B. A new two-constant equation of state. Industrial and Engineering Chemistry Fundamentals 1976, 15:59-64.
55. Pitzer K.S. Thermodynamics of electrolytes: 1. Theoretical basis and general equations. J. Phys. Chem. 1973, 77:268-277.
56. Prausnitz J.M., Lichtenthaler R.N., Gomes D.A.E. Molecular Thermodynamics of Fluid-Phase Equilibria 1986, Prentice Hall, New York. 2nd ed.
57. 2. Energy 2004, 29(9-10):1431-1444.
58. Pruess, K., 2005. ECO2N: A TOUGH2 fluid property module for mixtures of water, NaCl and CO2. Lawrence Berkeley National Laboratory Report.
59. Pruess K., Oldenburg C., Moridis G. TOUGH2 User's Guide V. 2. 0. LBNL Report 43134 1999, Lawrence Berkeley National Laboratory, Berkeley, CA.
60. Prutton C.F., Savage R.L. The solubility of carbon dioxide in calcium chloride - water solutions at 75, 100, 120°C and high pressures. J. Am. Chem. Soc. 1945, 67:1550-1554.
61. 4 ternary system. Journal of Chemical and Engineering Data 2008, 53:1246-1249.
62. Redlich O., Kwong J.N.S. On the thermodynamics of solutions: V. An equation of state. Fugacities of gaseous solutions. Chemical Reviews 1949, 44:233-244.
63. Rumpf B., Maurer G. Solubilities of hydrogen cyanide and sulfur dioxide in water at temperatures from 293.15 to 413.15K and pressures up to 2.5MPa. Fluid Phase Equilibria 1992, 81:241-260.
64. Rumpf B., Nicolaisen H., Ocal C., Maurer G. Solubility of carbon dioxide in aqueous solutions of sodium chloride: experimental results and correlation. J. Solution Chem. 1994, 23(3):431-448.
65. Saddington A.W., Krase N.W. Vapor-liquid equilibria in the system nitrogen-water. Journal of the American Chemical Society 1934, 56:353-361.
66. Schmidt G., Wenzel H. A modifide Van der Waals type equation of state. Chem. Eng. Sci. 1980, 35:1503-1512.
67. Selleck F.T., Carmichael L.T., Sage B.H. Phase behavior in the hydrogen sulfide-water system. Industrial and Engineering Chemistry 1952, 44:2219-2226.
68. 2 solutions at elevated temperatures. Fluid Phase Equilibria 2003, 213:39-51.
69. Song K.Y., Feneyrou G., Fleyfel F., Martin R., Lievois J., Kobayashi R. Solubility measurements of methane and ethane in water at and near hydrate conditions. Fluid Phase Equilibria 1997, 128:249-260.
70. 2S with pure water and NaCl brine. Fluid Phase Equilibria 1992, 77:217-240.
71. 4 at room temperatures and at pressures below 1000 Psia. Geochimica et Cosmochimica Acta 1962, 26:921-9260.
72. Smith H.J., Fahrenkamp-Uppenbrink J., Coontz R. Clearing the air. Science 2009, 325:1641.
73. Soave G. Equilibrium constants from a modified Redlich-Kwong equation of state. Chemical Engineering Science 1972, 27:1197-1203.
74. 2: I. Assessment and calculation of mutual solubilities from 12 to 100°C and up to 600bar. Geochimica et Cosmochimica Acta 2003, 67:3015-3031.
75. 2: II. Partitioning in chloride brines at 12-100°C and up to 600bar. Geochimica et Cosmochimica Acta 2005, 69:3309-3320.
76. Stoessell R.K., Byrne P.A. Salting-out of methane in single-salt solutions at 25-degrees-C and below 800 psia. Geochimica et Cosmochimica Acta 1982, 46(8):1327-1332.
77. Suleimenov M., Krupp R.E. Solubility of hydrogen sulfide in pure water and in NaCl solutions, from 20 to 320°C and at saturation pressures. Geochimica et Cosmochimica Acta 1994, 58(11):2433-2444.
78. Todheide K., Franck E.U. Das Zweiphasengebiet und die kritische Kurve im System Kohlendioxid-Wasser bis zu Drucken von 3500bar. Z. Phys. Chem. 1963, 37:387-401.
79. 2 on the Colorado Plateau, Utah, USA. Chemical Geology 2005, 217(3-4):387-405.
80. White C.M., Smith D.H., Jones K.L., Goodman A.L., Jikich S.A., La Count R.B., DuBose S.B., Yarym-Agaev N.L., Sinyavskaya R.P., Koliushko I.L., Levinton L.Y. Phase-equilibria in the water methane and methanol methane binary-systems under high-pressures. Journal of Applied Chemistry of the USSR 1985, 58(1):154-157.
81. Wang L.K., Chen G.J., Han G.H., Guo X.Q., Guo T.M. Experimental study on the solubility of natural gas components in water with or without hydrate inhibitor. Fluid Phase Equilibria 2003, 207:143-154.
82. Wiebe R., Gaddy V.L. The Solubility in water in carbon dioxide at 50, 75, and 100°C, at pressures to 700 atmospheres. Journal of the American Chemical Society 1939, 61:315-318.
83. Wiebe R., Gaddy V.L. The solubility of carbon dioxide in water at various temperatures from 12 to 40 and at pressures to 500 atmospheres Critical phenomena. Journal of the American Chemical Society 1940, 62:815-817.
84. Wiebe R., Gaddy V.L., Heins C. Solubility of nitrogen in water in 250c from 25 to 1000 atmospheres. Industrial and Engineering Chemistry 1932, 24(8). 927-927.
85. Wiebe R., Gaddy V.L., Heins C. The solubility of nitrogen in water at 50, 75 and 100° from 25 to 1000 atmospheres. Journal of the American Chemical Society 1933, 55(3):947-953.
86. Xia J., Kamps A.P.-S., Rumpf B., Maurer G. Solubility of hydrogen sulfide in aqueous solutions of the single salts sodium sulfate, ammonium sulfate sodium chloride, and ammonium chloride at temperatures from 313 to 393K and total pressures up to 10MPa. Industrial and Engineering Chemistry Research 2000, 39:1064-1073.
87. Xia J., Rumpf B., Maurer G. The solubility of sulfur dioxide in aqueous solutions of sodium chloride and ammonium chloride in the temperature range from 313K to 393K at pressures up to 3.7MPa: experimental results and comparison with correlations. Fluid Phase Equilibria 1999, 165:99-119.
88. 2 in a sandstone formation. Chemical Geology 2007, 242:319-346.
89. Yokoyama C., Wakana S., Kaminishi G.-I., Takahashi S. Vapor-liquid equilibria in the methane-diethylene glycol-water system at 298.15 and 323.15K. Journal of Chemical and Engineering Data 1988, 33:274-276.
90. Zawisza A., Malesinska B. Solubility of carbon dioxide in liquid water and of water in gaseous carbon dioxide in the range 0.2-5MPa and at temperatures up to 473K. J. Chem. Eng. Data 1981, 26(4):388-391.
91. 2 in deep saline formations. Journal of Geophysical Research 2011, 116:1-13.
92. Zirrahi M., Azin R., Hassanzadeh H., Moshfeghian M. Prediction of water content of sour and acid gases. Fluid Phase Equilibria 2010, 299:171-179.
93. 2S, and their mixtures in brine under subsurface disposal conditions. Fluid Phase Equilibria 2012, 324:80-93.