Competitive sorption of CO2 and H2O in 2:1 layer phyllosilicates

Geochimica et Cosmochimica Acta

Volumn 161, Issue , 2015, Pages 248-257

  Schaef, Herbert T ^a   Loring, John S ^a   Glezakou, Vassiliki Alexandra ^a   Miller, Quin R S ^b   Chen, Jeffrey ^a   Owen, Antoinette T ^a   Lee, Mal Soon ^a   Ilton, Eugene S ^a   Felmy, Andrew R ^a   McGrail, B Pete ^a   Thompson, Christopher J ^a  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^b UNIVERSITY OF WYOMING   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON DIOXIDE; CARBON SEQUESTRATION; EXTRACTION METHOD; METHANE; MONTMORILLONITE; PARTITIONING; PHYLLOSILICATE; SORPTION; WATER;

EID: 84929431479     PISSN: 00167037     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.gca.2015.03.027     Document Type: Article

References (60)

1. 2-hydrodynamic and mineral trapping. Energy Convers. Manage. 1994, 35:269-274.
2. Baihly J., Altman R., Malpani R., Luo F. Shale Gas Production Decline Trend Comparison Over time and Basins SPE 135555, SPE Annual Technical Conference and Exhibition 2010, Society of Petroleum Engineers, Florence, Italy, pp. 1-25.
3. Benson S.M., Surles T. Carbon dioxide capture and storage: An overview with emphasis on capture and storage in deep geological formations. Proc. IEEE 2006, 94:1795-1805.
4. 2+ exchanged montmorillonites. Clays Clay Miner. 2010, 58:174-187.
5. Busch A., Alles S., Gensterblum Y., Prinz D., Dewhurst D.N., Raven M.D., Stanjek H., Krooss B.M. Carbon dioxide storage potential of shales. Int. J. Greenhouse Gas Control 2008, 2:297-308.
6. Cases J.M., Berend I., Besson G., Francois M., Uriot J.P., Thomas F., Poirier J.E. Mechanism of adsorption and desorption of water-vapor by homoionic montmorilonite. 1. The sodium-exchanged form. Langmuir 1992, 8:2730-2739.
7. 2+ exchanged forms. Clays Clay Miner. 1997, 45:8-22.
8. Cassiede M., Daridon J.L., Paillol J.H., Pauly J. Impedance analysis for characterizing the influence of hydrostatic pressure on piezoelectric quartz crystal sensors. J. Appl. Phys. 2010, 108.
9. Chareonsuppanimit P., Mohammad S.A., Robinson R.L., Gasem K.A.M. High-pressure adsorption of gases on shales: measurements and modeling. Int. J. Coal Geol. 2012, 95:34-46.
10. Chipera S.J., Bish D.L. Baseline studies of The Clay Minerals Society Source Clays: powder X-ray diffraction analyses. Clays Clay Miner. 2001, 49:398-409.
11. Cp2k.org. About CP2K Open Source Molecular Dynamics. Retrieved from: . Date website last modified May 4, 2015. http://www.cp2k.org/.
12. Criscenti L.J., Cygan R.T. Molecular simulations of carbon dioxide and water: cation solvation. Environ. Sci. Technol. 2013, 47:87-94.
13. Cygan R.T., Romanov V.N., Myshakin E.M. Molecular simulation of carbon dioxide capture by montmorillonite using an accurate and flexible force field. J. Phys. Chem. C 2012, 116:13079-13091.
14. 2 storage in U.S. gas-bearing shales. Energy Procedia 2014, 63:7272-7279.
15. de Jong S.M., Spiers C.J., Busch A. Development of swelling strain in smectite clays through exposure to carbon dioxide. Int. J. Greenhouse Gas Control 2014, 24:149-161.
16. Ehrlich S., Moellmann J., Reckien W., Bredow T., Grimme S. System-dependent dispersion coefficients for the DFT-D3 treatment of adsorption processes on ionic surfaces. ChemPhysChem 2011, 12:3414-3420.
17. EIA, 2012. AEO2013 Early Release Overview, In: Administration, U.S.E.I. (Ed.).
18. 2 sequestration sites due to shale and tight gas production. Environ. Sci. Technol. 2012, 46:4223-4227.
19. Ferrage E., Lanson B., Michot L.J., Robert J.L. Hydration properties and interlayer organization of water and ions in synthetic na-smectite with tetrahedral layer charge. Part 1. Results from X-ray diffraction profile modeling. J. Phys. Chem. C 2010, 114:4515-4526.
20. Ferrage E., Lanson B., Sakharov B.A., Drits V.A. Investigation of smectite hydration properties by modeling experimental X-ray diffraction patterns: Part I. Montmorillonite hydration properties. Am. Mineral. 2005, 90:1358-1374.
21. 2 storage in sedimentary rocks. Int. J. Greenhouse Gas Control 2010, 4:73-89.
22. 2 sequestration. Int. J. Greenhouse Gas Control 2012, 8:73-81.
23. 2 Atmospheres. Environ. Sci. Technol. 2012, 46:5623-5630.
24. 2 and Possible Corrosion Pathways on the Low-Index Iron Surface Fe(100). J. Phys. Chem. C 2009, 113:3691-3696.
25. Goedecker S., Teter M., Hutter J. Separable dual-space Gaussian pseudopotentials. Phys. Rev. B 1996, 54:1703-1710.
26. Grimme S., Hujo W., Kirchner B. Performance of dispersion-corrected density functional theory for the interactions in ionic liquids. Phys. Chem. Chem. Phys. 2012, 14:4875-4883.
27. Hatch C.D., Wiese J.S., Crane C.C., Harris K.J., Kloss H.G., Baltrusaitis J. Water adsorption on clay minerals as a function of relative humidity: application of bet and Freundlich adsorption models. Langmuir 2012, 28:1790-1803.
28. Hemmen H., Rolseth E.G., Fonseca D.M., Hansen E.L., Fossum J.O., Plivelic T.S. X-ray studies of carbon dioxide intercalation in Na-fluorohectorite clay at near-ambient conditions. Langmuir 2012, 28:1678-1682.
29. 2. Environ. Sci. Technol. 2012, 46:4241-4248.
30. IPCC Climate Change 2007: The Physical Science Basis. Contribution of Working Group I to the Fourth Assessment Report of the Intergovernmental Panel on Climate Change 2007, Cambridge University Press, Cambridge, UK.
31. Jaynes W.F., Bigham J.M. Multiple cation-exchange capacity measurements on standard clays using a commercial mechanical extractor. Clays Clay Miner. 1986, 34:93-98.
32. Jaynes W.F., Bigham J.M. Charge reduction, octahedral charge, and lithium retention in heated, Li-saturated smectites. Clays Clay Miner. 1987, 35:440-448.
33. Johnston C.T., Sposito G., Erickson C. Vibrational probe studies of water interactions with montmorillonite. Clays Clay Miner. 1992, 40:722-730.
34. Kang S.M., Fathi E., Ambrose R.J., Akkutlu I.Y., Sigal R.F. Carbon dioxide storage capacity of organic-rich shales. Spe J. 2011, 16:842-855.
35. Krack M. Pseudopotentials for H to Kr optimized for gradient-corrected exchange-correlation functionals. Theoret. Chem. Acc. 2005, 114:145-152.
36. 2. Environ. Sci. Technol. 2014, 48:8612-8619.
37. Lippert G., Hutter J., Parrinello M. A hybrid Gaussian and plane wave density functional scheme. Mol. Phys. 1997, 92:477-487.
38. 2 intercalation into montmorillonite in supercritical carbon dioxide. Langmuir 2012, 28:7125-7128.
39. 2O partitioning between Na-montmorillonite and variably wet supercritical carbon dioxide. Langmuir 2014, 30:6120-6128.
40. Madejova J., Komadel P. Baseline studies of The Clay Minerals Society Source Clays: infrared methods. Clays Clay Miner. 2001, 49:410-432.
41. Mermut A.R., Cano A.F. Baseline studies of The Clay Minerals Society Source Clays: chemical analyses of major elements. Clays Clay Miner. 2001, 49:381-386.
42. Mermut A.R., Lagaly G. Baseline studies of The Clay Minerals Society Source Clays: layer-charge determination and characteristics of those minerals containing 2: 1 layers. Clays Clay Miner. 2001, 49:393-397.
43. 2 fluids. Int. J. Greenhouse Gas Control 2013, 15:104-118.
44. Moore D.M., Reynolds R.C. X-Ray Diffraction and the Identification and Analysis of Clay Minerals 1989, Oxford University Press, Oxford, New York.
45. Myshakin E.M., Saidi W.A., Romanov V.N., Cygan R.T., Jordan K.D. Molecular dynamics simulations of carbon dioxide intercalation in hydrated Na-montmorillonite. J. Phys. Chem. C 2013, 117:11028-11039.
46. Norrish K. The swelling of montmorillonite. Discuss. Faraday Soc. 1954, 18:120-134.
47. Olphen H.v., Fripiat J.J. Data Handbook for Clay Materials and Other Non-Metallic Minerals 1979, Pergamon Press, New York, p. 346.
48. Perdew J.P., Burke K., Ernzerhof M. Generalized gradient approximation made simple. Phys. Rev. Lett. 1996, 77:3865-3868.
49. Rechendorff K., Hovgaard M.B., Foss M., Besenbacher F. Influence of surface roughness on quartz crystal microbalance measurements in liquids. J. Appl. Phys. 2007, 101.
50. 2 sorption to subsingle hydration layer montmorillonite clay studied by excess sorption and neutron diffraction measurements. Environ. Sci. Technol. 2013, 47:205-211.
51. Rutherford D.W., Chiou C.T., Eberl D.D. Effects of exchanged cation on the microporosity of montmorillonite. Clays Clay Miner. 1997, 45:534-543.
52. 2 onto kaolinite. Environ. Sci. Technol. Lett. 2014, 1:142-145.
53. 2+ Saturated Montmorillonite (STX-1) Exposed to Anhydrous and Wet Supercritical Carbon Dioxide. Int. J. Greenhouse Gas Control 2012, 220-229.
54. 2. I. Assessment and calculation of mutual solubilities from 12 to 100°C and up to 600 bar. Geochim. Cosmochim. Acta 2003, 67:3015-3031.
55. Thompson C.J., Martin P.F., Chen J., Benezeth P., Schaef H.T., Rosso K.M., Felmy A.R., Loring J.S. Automated high-pressure titration system with in situ Infrared spectroscopic detection. Rev. Sci. Instrum. 2014, 85(4):044102.
56. Van Olphen H., Friplat J.J. Data Hanbook for Clay Minerals and Other Non-metallic Minerals 1979, Pergamon Press, Oxford, England.
57. VandeVondele J., Hutter J. Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases. J. Chem. Phys. 2007, 127.
58. VandeVondele J., Krack M., Mohamed F., Parrinello M., Chassaing T., Hutter J. QUICKSTEP: fast and accurate density functional calculations using a mixed Gaussian and plane waves approach. Comput. Phys. Commun. 2005, 167:103-128.
59. Viani A., Gaultieri A.F., Artioli G. The nature of disorder in montmorillonite by simulation of X-ray powder patterns. Am. Mineral. 2002, 87:966-975.
60. Xu W.Z., Johnston C.T., Parker P., Agnew S.F. Infrared study of water sorption on Na-, Li-, Ca-, and Mg-exchanged (SWy-1 and SAz-1) montmorillonite. Clays Clay Miner. 2000, 48:120-131.