메뉴 건너뛰기




Volumn 37, Issue , 2013, Pages 5387-5402

Molecular dynamics simulation of water/CO2-quartz interfacial properties: Application to subsurface gas injection

Author keywords

Carbon geo sequestration; Contact angle; Molecular dynamics; Residual trapping; Structural trapping; Wettability

Indexed keywords


EID: 84898748474     PISSN: 18766102     EISSN: None     Source Type: Conference Proceeding    
DOI: 10.1016/j.egypro.2013.06.457     Document Type: Conference Paper
Times cited : (75)

References (60)
  • 1
    • 0242305908 scopus 로고    scopus 로고
    • Global surface temperatures over the past two millennia
    • Mann, ME, Jones P D. Global surface temperatures over the past two millennia. Geophys Res Lett 2003; 30:GL017814.
    • (2003) Geophys Res Lett , vol.30
    • Mann, M.E.1    Jones, P.D.2
  • 2
    • 0004012299 scopus 로고    scopus 로고
    • International Energy Agency. Paris
    • International Energy Agency. Key World Energy Statistics. Paris, 2010.
    • (2010) Key World Energy Statistics
  • 3
    • 84898761928 scopus 로고    scopus 로고
    • Shute Creek Gas Processing Facility article from, accessed August 2012
    • Shute Creek Gas Processing Facility article from Global CCS Institute (2012). Available at: http://www.globalCCSinstitute.com/projects/16606; accessed August 2012.
    • (2012) Global CCS Institute
  • 4
    • 57149099597 scopus 로고    scopus 로고
    • 2 injection at the sleipner field using time-lapse gravimetry
    • 2 injection at the Sleipner field using time-lapse gravimetry. Geophysics 2008; 73:155-161.
    • (2008) Geophysics , vol.73 , pp. 155-161
    • Håvard, A.1    Eiken, O.2    Stenvold, T.3
  • 5
    • 0011220013 scopus 로고    scopus 로고
    • 2 emissions from gas processing plants
    • 2 Emissions from Gas Processing Plants. Energy Convers 1997; 38: S205-S209.
    • (1997) Energy Convers , vol.38
    • Chakma, A.1
  • 7
  • 10
    • 32044436746 scopus 로고    scopus 로고
    • Onset of convection in a gravitationally unstable diffusive boundary layer in porous media
    • Riaz A, Hesse M, Tchelepi HA, Orr FM. Onset of convection in a gravitationally unstable diffusive boundary layer in porous media. J Fluid Mech 2006; 548:87 111.
    • (2006) J Fluid Mech , vol.548 , pp. 87-111
    • Riaz, A.1    Hesse, M.2    Tchelepi, H.A.3    Orr, F.M.4
  • 12
    • 0038268723 scopus 로고    scopus 로고
    • 2 disposal in deep arenaceous formations
    • 2 disposal in deep arenaceous formations. J Geophys Res 2003; 108(B2):2071 2084.
    • (2003) J Geophys Res , vol.108 , Issue.B2 , pp. 2071-2084
    • Xu, T.F.1    Apps, J.A.2    Pruess, K.3
  • 14
    • 79952629083 scopus 로고    scopus 로고
    • 2 column heights in depleted gas fields from known preproduction gas column heights
    • 2 column heights in depleted gas fields from known preproduction gas column heights. Mar Petrol Geol 2011; 28:1083.
    • (2011) Mar Petrol Geol , vol.28 , pp. 1083
    • Naylor, M.1    Wilkinson, M.2    Hazeldine, R.S.3
  • 17
    • 84860617814 scopus 로고    scopus 로고
    • It's not only about safety: Beliefs and attitudes of 811 local residents regarding a CCS project in barendrecht
    • Terwel BW, ter Mors E, Daamen DDL. . It's not only about safety: Beliefs and attitudes of 811 local residents regarding a CCS project in Barendrecht. Int J Greenh Gas Con 2012; 9:41.
    • (2012) Int J Greenh Gas Con , vol.9 , pp. 41
    • Terwel, B.W.1    Ter, M.E.2    Daamen, D.D.L.3
  • 19
    • 78651378937 scopus 로고    scopus 로고
    • X-ray tomography measurements of power-law cluster size distributions for the nonwetting phase in sandstones
    • Iglauer S, Favretto S, Spinelli G, Schena G, Blunt MJ. X-ray tomography measurements of power-law cluster size distributions for the nonwetting phase in sandstones. Phys Rev E 2010; 82:056315.
    • (2010) Phys Rev E , vol.82 , pp. 056315
    • Iglauer, S.1    Favretto, S.2    Spinelli, G.3    Schena, G.4    Blunt, M.J.5
  • 20
    • 53749088065 scopus 로고    scopus 로고
    • A new model of trapping and relative permeability hysteresis for all wettability characteristics
    • Spiteri EJ, Juanes R, Blunt MJ, Orr FM. A New Model of Trapping and Relative Permeability Hysteresis for all wettability characteristics. SPE J 2008; 13:277.
    • (2008) SPE J , vol.13 , pp. 277
    • Spiteri, E.J.1    Juanes, R.2    Blunt, M.J.3    Orr, F.M.4
  • 21
    • 84859000359 scopus 로고    scopus 로고
    • CoMParison of residual oil cluster size distribution, morphology and saturation in oil-wet and water-wet sandstone
    • Iglauer S, Fernø M, Shearing P, Blunt MJ. CoMParison of residual oil cluster size distribution, morphology and saturation in oil-wet and water-wet sandstone. J Colloid Interf Sci 2012; 375: 187-192.
    • (2012) J Colloid Interf Sci , vol.375 , pp. 187-192
    • Iglauer, S.1    Fernø, M.2    Shearing, P.3    Blunt, M.J.4
  • 22
    • 79952980416 scopus 로고    scopus 로고
    • Measurements of the capillary trapping of super-critical carbon dioxide in berea sandstone
    • Pentland C, El-Maghraby R, Iglauer S, Blunt MJ. Measurements of the capillary trapping of super-critical carbon dioxide in Berea sandstone. Geophys Res Lett 2011; 38:L06401.
    • (2011) Geophys Res Lett , vol.38
    • Pentland, C.1    El-Maghraby, R.2    Iglauer, S.3    Blunt, M.J.4
  • 24
    • 84866000857 scopus 로고    scopus 로고
    • Capillary trapping in sandstones and carbonates: Dependence on pore structure
    • Tanino Y, Blunt MJ. Capillary trapping in sandstones and carbonates: dependence on pore structure. Water Resour Res 2012; 48:W08525.
    • (2012) Water Resour Res , vol.48
    • Tanino, Y.1    Blunt, M.J.2
  • 26
    • 85030962167 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 Interf Sci 2012; 375:187-192.
    • (2012) J Colloid Interf Sci , vol.375 , pp. 187-192
    • Iglauer, S.1    Mathew, M.S.2    Bresme, F.3
  • 27
    • 29244471731 scopus 로고    scopus 로고
    • A general purpose model for the condensed phases of water: TIP4P /2005
    • Abascal JLF, Vega C. A general purpose model for the condensed phases of water: TIP4P/2005. J Chem Phys 2005; 123:234505.
    • (2005) J Chem Phys , vol.123 , pp. 234505
    • Abascal, J.L.F.1    Vega, C.2
  • 28
    • 13444281787 scopus 로고
    • Carbon dioxide's liquid-vapor coexistence curve and critical properties as predicted by a simple molecular model
    • Harris JG, Yung KH. Carbon Dioxide's Liquid-Vapor Coexistence Curve and Critical Properties as Predicted by a Simple Molecular Model. J Phys Chem 1995; 99:12021.
    • (1995) J Phys Chem , vol.99 , pp. 12021
    • Harris, J.G.1    Yung, K.H.2
  • 30
    • 70350406153 scopus 로고    scopus 로고
    • Monte carlo simulations of the pressure dependence of the water-acid gas interfacial tensions
    • Biscay F, Ghoufi A, Lachet V, Malfreyt P. Monte Carlo Simulations of the Pressure Dependence of the Water-Acid Gas Interfacial Tensions. J Phys Chem B 2009; 113:14277.
    • (2009) J Phys Chem B , vol.113 , pp. 14277
    • Biscay, F.1    Ghoufi, A.2    Lachet, V.3    Malfreyt, P.4
  • 31
    • 0012652216 scopus 로고    scopus 로고
    • STFC Daresbury Laboratory, Daresbury, Warrington WA4 4AD, Cheshire, UK, Version 2.21, March
    • Smith W., Forester TR, Todorov IT. DL POLY 2 USER MANUAL. STFC Daresbury Laboratory, Daresbury, Warrington WA4 4AD, Cheshire, UK, Version 2.21, March 2010.
    • (2010) Dl Poly 2 User Manual
    • Smith, W.1    Forester, T.R.2    Todorov, I.T.3
  • 32
    • 0009480911 scopus 로고    scopus 로고
    • The Council for the Central Laboratory of the Research Councils, Daresbury Laboratory at Daresbury, Nr. Warrington
    • Smith W, Forester TR. DL-POLY 2.19. The Council for the Central Laboratory of the Research Councils, Daresbury Laboratory at Daresbury, Nr. Warrington; 1996.
    • (1996) DL-POLY 2.19
    • Smith, W.1    Forester, T.R.2
  • 33
    • 11944254490 scopus 로고
    • Force fields for silicas and aluminophosphates based on ab initio calculations
    • van Beest BWH., Kramer G.J, van Santen RA. Force Fields for Silicas and Aluminophosphates Based on Ab Initio Calculations. Phys Rev Lett 1990; 64:1955.
    • (1990) Phys Rev Lett , vol.64 , pp. 1955
    • Van Beest, B.W.H.1    Kramer, G.J.2    Van Santen, R.A.3
  • 35
    • 79958081595 scopus 로고    scopus 로고
    • Ab initio calculation of the potential of mean force for dissociation of aqueous Ca Cl
    • Timko J, De Castro A, Kuyucak S. Ab initio calculation of the potential of mean force for dissociation of aqueous Ca Cl. J Chem Phys 2011; 134:204510.
    • (2011) J Chem Phys , vol.134 , pp. 204510
    • Timko, J.1    De Castro, A.2    Kuyucak, S.3
  • 36
    • 0141459809 scopus 로고    scopus 로고
    • Molecular simulation of vapor-liquid phase equilibria of hydrogen sulfide and its mixtures with alkanes
    • Shyamal K. Molecular Simulation of Vapor-Liquid Phase Equilibria of Hydrogen Sulfide and Its Mixtures with Alkanes. J Phys Chem B 2003; 107:9498-9504.
    • (2003) J Phys Chem B , vol.107 , pp. 9498-9504
    • Shyamal, K.1
  • 39
    • 0030291068 scopus 로고    scopus 로고
    • Prediction of thermodynamic properties for fluid nitrogen with molecular dynamics simulations
    • Kriebel C, Müller A, Mecke M, Winkelmann J, Fischer J. Prediction of Thermodynamic Properties for Fluid Nitrogen with Molecular Dynamics Simulations. Int J Thermophys 1996; 17: 1349-1363.
    • (1996) Int J Thermophys , vol.17 , pp. 1349-1363
    • Kriebel, C.1    Müller, A.2    Mecke, M.3    Winkelmann, J.4    Fischer, J.5
  • 40
    • 84937570955 scopus 로고
    • Thermodynamic properties of nitrogen from the freezing line to 2000 k at pressures to 1000 MPa
    • Jacobsen RT, Stewart RB, Jahangiri M. Thermodynamic properties of nitrogen from the freezing line to 2000 K at pressures to 1000 MPa. J Phys Chem Ref Data 1986; 15:735-909.
    • (1986) J Phys Chem Ref Data , vol.15 , pp. 735-909
    • Jacobsen, R.T.1    Stewart, R.B.2    Jahangiri, M.3
  • 41
    • 84977266737 scopus 로고
    • Die berechnung optischer und elektrostatischer gitterpotentiale
    • Ewald P. Die Berechnung optischer und elektrostatischer Gitterpotentiale. Ann Phys 1921; 369:253 287.
    • (1921) Ann Phys , vol.369 , pp. 253-287
    • Ewald, P.1
  • 42
    • 0000260877 scopus 로고    scopus 로고
    • Computer simulation studies of liquid liquid denses at a liquid liquid interface
    • Bresme F, Quirke N. Computer Simulation Studies of Liquid Liquid Denses at a Liquid Liquid Interface. J Chem Phys 2000; 112:5985-5990.
    • (2000) J Chem Phys , vol.112 , pp. 5985-5990
    • Bresme, F.1    Quirke, N.2
  • 47
    • 84870529310 scopus 로고    scopus 로고
    • Simultaneous oil recovery and residual gas storage: A pore-level analysis using in-situ x-ray micro-tomography
    • press
    • Iglauer S, Paluszny A., Blunt MJ. Simultaneous oil recovery and residual gas storage: A pore-level analysis using in-situ x-ray micro-tomography Fuel 2013; 103, 905-914in press.
    • (2013) Fuel , vol.103 , pp. 905-914
    • Iglauer, S.1    Paluszny, A.2    Blunt, M.J.3
  • 50
    • 0003427752 scopus 로고    scopus 로고
    • U.S. Department of Health and Human Services
    • U.S. Department of Health and Human Services. Toxicological Profile for Hydrogen Sulfide. pg 154, 2006.
    • (2006) Toxicological Profile for Hydrogen Sulfide , pp. 154
  • 51
    • 34547824779 scopus 로고
    • A coMParsion of the structure and dynamics of liquid water at hydrophobic and hydrophilic surfaces-a molecular dynamics simulation study
    • Lee SH, Rossky PJ. A coMParsion of the structure and dynamics of liquid water at hydrophobic and hydrophilic surfaces-a molecular dynamics simulation study. J Chem Phys 1994; 100:3334.
    • (1994) J Chem Phys , vol.100 , pp. 3334
    • Lee, S.H.1    Rossky, P.J.2
  • 52
    • 33644784102 scopus 로고    scopus 로고
    • Development of an empirical force field for silica. Application to the quartz- water interface
    • Lopes PEM, Murashov V, Tazi M, Demchuk E, Mackerell AD. Development of an Empirical Force Field for Silica. Application to the Quartz- water Interface. J Phys Chem B 2006;110:2782-2792.
    • (2006) J Phys Chem B , vol.110 , pp. 2782-2792
    • Lopes, P.E.M.1    Murashov, V.2    Tazi, M.3    Demchuk, E.4    Mackerell, A.D.5
  • 54
    • 33751266937 scopus 로고    scopus 로고
    • Water-silica force field for simulating nanodevices
    • Cruz-Chu ER, Aksimentiev A, Schulten K. Water-Silica Force Field for Simulating Nanodevices. J Phys Chem B 2006; 110:21497.
    • (2006) J Phys Chem B , vol.110 , pp. 21497
    • Cruz-Chu, E.R.1    Aksimentiev, A.2    Schulten, K.3
  • 56
    • 33947244540 scopus 로고    scopus 로고
    • Static and dynamics properties of the water/amorphous silica interface: A model for the undissociated surface
    • Hassanali AA, Singer JS. Static and dynamics properties of the water/amorphous silica interface: A model for the undissociated surface. J Computer-Aided Mater Des 2006; 14:53.
    • (2006) J Computer-Aided Mater des , vol.14 , pp. 53
    • Hassanali, A.A.1    Singer, J.S.2
  • 58
    • 61549130300 scopus 로고    scopus 로고
    • Molecular dynamics studies of the interactions of water and amino acid analogues with quartz surface
    • Notman B, Walsh RT. Molecular Dynamics Studies of the Interactions of Water and Amino Acid Analogues with Quartz Surface. Langmuir 2009; 25:1638.
    • (2009) Langmuir , vol.25 , pp. 1638
    • Notman, B.1    Walsh, R.T.2
  • 60
    • 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 Greenh Gas Con 2011; 5:1259.
    • (2011) Int J Greenh Gas Con , vol.5 , pp. 1259
    • Bikkina, P.K.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.