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Volumn 48, Issue 3, 2014, Pages 2035-2042

Molecular simulation of carbon dioxide, brine, and clay mineral interactions and determination of contact angles

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINUM SILICATE; BRINE; CARBON DIOXIDE; CLAY; INORGANIC SALT; KAOLIN; MINERAL; SILOXANE; WATER;

EID: 84893575305     PISSN: 0013936X     EISSN: 15205851     Source Type: Journal    
DOI: 10.1021/es404075k     Document Type: Article
Times cited : (137)

References (42)
  • 1
    • 33645961462 scopus 로고    scopus 로고
    • Working Group III; Cambridge University Press for the Intergovernmental Panel on Climate Change.
    • Metz, B. IPCC Special Report on Carbon Dioxide Capture and Storage, Working Group III; Cambridge University Press for the Intergovernmental Panel on Climate Change, 2005.
    • (2005) IPCC Special Report on Carbon Dioxide Capture and Storage
    • Metz, B.1
  • 4
  • 5
    • 84855485535 scopus 로고    scopus 로고
    • Pore-scale mass and reactant transport in multiphase porous media flows
    • Parmigiani, A.; Huber, C.; Bachmann, O.; Chopard, B. Pore-scale mass and reactant transport in multiphase porous media flows J. Fluid Mech. 2011, 686, 40-76
    • (2011) J. Fluid Mech. , vol.686 , pp. 40-76
    • Parmigiani, A.1    Huber, C.2    Bachmann, O.3    Chopard, B.4
  • 7
    • 48149105654 scopus 로고    scopus 로고
    • Line energy, line tension and drop size
    • Tadmor, R. Line energy, line tension and drop size Surf. Sci. 2008, 602, L108-L111
    • (2008) Surf. Sci. , vol.602
    • Tadmor, R.1
  • 8
    • 23044481217 scopus 로고    scopus 로고
    • Stability of liquid channels or filaments in the presence of line tension
    • Brinkmann, M.; Kierfeld, J.; Lipowsky, R. Stability of liquid channels or filaments in the presence of line tension J. Phys.: Condens. Matter 2005, 17, 2349-2364
    • (2005) J. Phys.: Condens. Matter , vol.17 , pp. 2349-2364
    • Brinkmann, M.1    Kierfeld, J.2    Lipowsky, R.3
  • 9
    • 33644867415 scopus 로고    scopus 로고
    • 2 sequestration in depleted oil and gas reservoirs - Caprock characterization and storage capacity
    • 2 sequestration in depleted oil and gas reservoirs-Caprock characterization and storage capacity Energy Convers. Manage. 2006, 47, 1372-1382
    • (2006) Energy Convers. Manage. , vol.47 , pp. 1372-1382
    • Li, Z.1    Dong, M.2    Li, S.3    Huang, S.4
  • 10
    • 79952629083 scopus 로고    scopus 로고
    • 2 column heights in depleted gas fields from known pre-production gas column heights
    • 2 column heights in depleted gas fields from known pre-production gas column heights Mar. Pet. Geol. 2011, 28, 1083-1093
    • (2011) Mar. Pet. Geol. , vol.28 , pp. 1083-1093
    • Naylor, M.1    Wilkinson, M.2    Haszeldine, R.3
  • 12
    • 34247495498 scopus 로고    scopus 로고
    • Wettability alteration of caprock minerals by carbon dioxide
    • Chiquet, P.; Broseta, D.; Thibeau, S. Wettability alteration of caprock minerals by carbon dioxide Geofluids 2007, 7, 112-122
    • (2007) Geofluids , vol.7 , pp. 112-122
    • Chiquet, P.1    Broseta, D.2    Thibeau, S.3
  • 14
    • 80052149664 scopus 로고    scopus 로고
    • 2-water-quartz/calcite systems in the perspective of carbon sequestration
    • 2-water-quartz/ calcite systems in the perspective of carbon sequestration Int. J. Greenhouse Gas Control 2011, 5, 1259-1271
    • (2011) Int. J. Greenhouse Gas Control , vol.5 , pp. 1259-1271
    • Bikkina, P.K.1
  • 16
    • 84878960369 scopus 로고    scopus 로고
    • Wettability of supercritical carbon dioxide/water/quartz systems: Simultaneous measurement of contact angle and interfacial tension at reservoir conditions
    • Saraji, S.; Goual, L.; Piri, M.; Plancher, H. Wettability of supercritical carbon dioxide/water/quartz systems: Simultaneous measurement of contact angle and interfacial tension at reservoir conditions Langmuir 2013, 29, 6856-6866
    • (2013) Langmuir , vol.29 , pp. 6856-6866
    • Saraji, S.1    Goual, L.2    Piri, M.3    Plancher, H.4
  • 18
    • 84859211574 scopus 로고    scopus 로고
    • 2-water-quartz/calcite systems in the perspective of carbon sequestration": A case of contamination?
    • 2-water-quartz/calcite systems in the perspective of carbon sequestration": A case of contamination? Int. J. Greenhouse Gas Control 2012, 7, 261-262
    • (2012) Int. J. Greenhouse Gas Control , vol.7 , pp. 261-262
    • Mahadevan, J.1
  • 20
    • 84865332590 scopus 로고    scopus 로고
    • Molecular dynamics simulations of the contact angle between water droplets and graphite surfaces
    • Sergi, D.; Scocchi, G.; Ortona, A. Molecular dynamics simulations of the contact angle between water droplets and graphite surfaces Fluid Phase Equilib. 2012, 332, 173-177
    • (2012) Fluid Phase Equilib. , vol.332 , pp. 173-177
    • Sergi, D.1    Scocchi, G.2    Ortona, A.3
  • 21
    • 84555195725 scopus 로고    scopus 로고
    • Wetting and contact-line effects for spherical and cylindrical droplets on graphene layers: A comparative molecular-dynamics investigation
    • Scocchi, G.; Sergi, D.; D'Angelo, C.; Ortona, A. Wetting and contact-line effects for spherical and cylindrical droplets on graphene layers: A comparative molecular-dynamics investigation Phys. Rev. E 2011, 84, 8
    • (2011) Phys. Rev. e , vol.84 , pp. 8
    • Scocchi, G.1    Sergi, D.2    D'Angelo, C.3    Ortona, A.4
  • 22
    • 70349521982 scopus 로고    scopus 로고
    • Wetting of hydrophobic substrates by nanodroplets of aqueous trisiloxane and alkyl polyethoxylate surfactant solutions
    • Halverson, J. D.; Maldarelli, C.; Couzis, A.; Koplik, J. Wetting of hydrophobic substrates by nanodroplets of aqueous trisiloxane and alkyl polyethoxylate surfactant solutions Chem. Eng. Sci. 2009, 64, 4657-4667
    • (2009) Chem. Eng. Sci. , vol.64 , pp. 4657-4667
    • Halverson, J.D.1    Maldarelli, C.2    Couzis, A.3    Koplik, J.4
  • 23
    • 80054749753 scopus 로고    scopus 로고
    • Effects of temperature, size of water droplets, and surface roughness on nanowetting properties investigated using molecular dynamics simulation
    • Wu, C. D.; Kuo, L. M.; Lin, S. J.; Fang, T. H.; Hsieh, S. F. Effects of temperature, size of water droplets, and surface roughness on nanowetting properties investigated using molecular dynamics simulation Comput. Mater. Sci. 2012, 53, 25-30
    • (2012) Comput. Mater. Sci. , vol.53 , pp. 25-30
    • Wu, C.D.1    Kuo, L.M.2    Lin, S.J.3    Fang, T.H.4    Hsieh, S.F.5
  • 24
    • 84861823405 scopus 로고    scopus 로고
    • Comparative characterization of chip to epoxy interfaces by molecular modeling and contact angle determination
    • Holck, O.; Bauer, J.; Wittler, O.; Michel, B.; Wunderle, B. Comparative characterization of chip to epoxy interfaces by molecular modeling and contact angle determination Microelectron. Reliab. 2012, 52, 1285-1290
    • (2012) Microelectron. Reliab. , vol.52 , pp. 1285-1290
    • Holck, O.1    Bauer, J.2    Wittler, O.3    Michel, B.4    Wunderle, B.5
  • 25
    • 84865966007 scopus 로고    scopus 로고
    • 2-quartz contact angles and their effects on structural and residual trapping mechanisms in carbon geo-sequestration
    • 2-quartz contact angles and their effects on structural and residual trapping mechanisms in carbon geo-sequestration J. Colloid Interface Sci. 2012, 386, 405-414
    • (2012) J. Colloid Interface Sci. , vol.386 , pp. 405-414
    • Iglauer, S.1    Mathew, M.S.2    Bresme, F.3
  • 26
    • 83155181829 scopus 로고    scopus 로고
    • Wettability of kaolinite (001) surfaces - Molecular dynamic study
    • Solc, R.; Gerzabek, M. H.; Lischka, H.; Tunega, D. Wettability of kaolinite (001) surfaces-Molecular dynamic study Geoderma 2011, 169, 47-54
    • (2011) Geoderma , vol.169 , pp. 47-54
    • Solc, R.1    Gerzabek, M.H.2    Lischka, H.3    Tunega, D.4
  • 29
    • 0002467378 scopus 로고
    • Fast parallel algorithms for short-range molecular dynamics
    • Plimpton, S. J. Fast parallel algorithms for short-range molecular dynamics J. Comput. Phys. 1995, 117, 1-19
    • (1995) J. Comput. Phys. , vol.117 , pp. 1-19
    • Plimpton, S.J.1
  • 31
    • 0442326619 scopus 로고    scopus 로고
    • Molecular models of hydroxide, oxyhydroxide, and clay phases and the development of a general force field
    • Cygan, R. T.; Liang, J. J.; Kalinichev, A. G. Molecular models of hydroxide, oxyhydroxide, and clay phases and the development of a general force field J. Phys. Chem. B 2004, 108, 1255-1266
    • (2004) J. Phys. Chem. B , vol.108 , pp. 1255-1266
    • Cygan, R.T.1    Liang, J.J.2    Kalinichev, A.G.3
  • 32
    • 84863305332 scopus 로고    scopus 로고
    • Molecular simulation of carbon dioxide capture by montmorillonite using an accurate and flexible force field
    • 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
    • (2012) J. Phys. Chem. C , vol.116 , pp. 13079-13091
    • Cygan, R.T.1    Romanov, V.N.2    Myshakin, E.M.3
  • 37
    • 0031851388 scopus 로고    scopus 로고
    • Mechanism of kaolinite dissolution at room temperature and pressure: Part 1. Surface speciation
    • Huertas, F. J.; Chou, L.; Wollast, R. Mechanism of kaolinite dissolution at room temperature and pressure: Part 1. Surface speciation Geochim. Cosmochim. Acta 1998, 62, 417-431
    • (1998) Geochim. Cosmochim. Acta , vol.62 , pp. 417-431
    • Huertas, F.J.1    Chou, L.2    Wollast, R.3
  • 38
    • 0032871288 scopus 로고    scopus 로고
    • Dissolution of well and poorly crystallized kaolinites: Al speciation and effects of surface characteristics
    • Sutheimer, S. H.; Maurice, P. A.; Zhou, Q. H. Dissolution of well and poorly crystallized kaolinites: Al speciation and effects of surface characteristics Am. Mineral. 1999, 84, 620-628
    • (1999) Am. Mineral. , vol.84 , pp. 620-628
    • Sutheimer, S.H.1    Maurice, P.A.2    Zhou, Q.H.3
  • 39
    • 0043170901 scopus 로고    scopus 로고
    • Surface protonation data of kaolinite-reevaluation based on dissolution experiments
    • Ganor, J.; Cama, J.; Metz, V. Surface protonation data of kaolinite-reevaluation based on dissolution experiments J. Colloid Interface Sci. 2003, 264, 67-75
    • (2003) J. Colloid Interface Sci. , vol.264 , pp. 67-75
    • Ganor, J.1    Cama, J.2    Metz, V.3
  • 40
    • 77649238150 scopus 로고    scopus 로고
    • Surface force measurements at the basal planes of ordered kaolinite particles
    • Gupta, V.; Miller, J. D. Surface force measurements at the basal planes of ordered kaolinite particles J. Colloid Interface Sci. 2010, 344, 362-371
    • (2010) J. Colloid Interface Sci. , vol.344 , pp. 362-371
    • Gupta, V.1    Miller, J.D.2
  • 42
    • 84887614386 scopus 로고    scopus 로고
    • Geochemical implications of brine leakage into freshwater aquifers
    • Wunsch, A.; Navarre-Sitchler, A. K.; McCray, J. E. Geochemical implications of brine leakage into freshwater aquifers Groundwater 2013, 51, 855-865
    • (2013) Groundwater , vol.51 , pp. 855-865
    • Wunsch, A.1    Navarre-Sitchler, A.K.2    McCray, J.E.3


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