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Volumn 117, Issue 34, 2013, Pages 17583-17590

Adsorption of molecules onto (101̄4) dolomite surface: An application of computational studies for Microcalorimetry

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION COMPLEX; ADSORPTION ENERGIES; ADSORPTION OF WATER; ADSORPTION PROCESS; COMPUTATIONAL STUDIES; ORGANIC MOLECULES; POTENTIAL ADSORBENTS; SECONDARY OIL RECOVERIES;

EID: 84883331653     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp404529e     Document Type: Article
Times cited : (27)

References (47)
  • 1
    • 0020896223 scopus 로고
    • Crystal Chemistry of the Rhombohedral Carbonates
    • Reeder, R. J. Crystal Chemistry of the Rhombohedral Carbonates Rev. Mineral. Geochem. 1983, 11, 1-47
    • (1983) Rev. Mineral. Geochem. , vol.11 , pp. 1-47
    • Reeder, R.J.1
  • 5
    • 0036361917 scopus 로고    scopus 로고
    • Surface Structures, Stabilities, and Growth of Magnesian Calcites: A Computational Investigation from the Perspective of Dolomite Formation
    • de Leeuw, N. H. Surface Structures, Stabilities, and Growth of Magnesian Calcites: A Computational Investigation from the Perspective of Dolomite Formation Am. Mineral. 2002, 87, 679-689
    • (2002) Am. Mineral. , vol.87 , pp. 679-689
    • De Leeuw, N.H.1
  • 6
    • 0026442411 scopus 로고
    • High-Pressure Structural Study of Dolomite and Ankerite
    • Ross, L. N.; Reeder, J. R. High-Pressure Structural Study of Dolomite and Ankerite Am. Mineral. 1992, 77, 412-421
    • (1992) Am. Mineral. , vol.77 , pp. 412-421
    • Ross, L.N.1    Reeder, J.R.2
  • 11
    • 67649354660 scopus 로고    scopus 로고
    • Molecular Dynamics Simulation of Adsorption of an Oil-Water-Surfactant Mixture on Calcite Surface
    • Lu, G.; Zhang, X.; Shao, C.; Yang, H. Molecular Dynamics Simulation of Adsorption of an Oil-Water-Surfactant Mixture on Calcite Surface Pet. Sci. 2009, 6, 76-81
    • (2009) Pet. Sci. , vol.6 , pp. 76-81
    • Lu, G.1    Zhang, X.2    Shao, C.3    Yang, H.4
  • 12
    • 0022925202 scopus 로고
    • Mouillabilité et Réservoirs Pétroliers
    • Cuiec, L. Mouillabilité et Réservoirs Pétroliers Oil Gas Sci. Technol. 1986, 41, 487-509
    • (1986) Oil Gas Sci. Technol. , vol.41 , pp. 487-509
    • Cuiec, L.1
  • 13
    • 84883357647 scopus 로고
    • Recommandations Pour la Détermination de la Mouillabilité d'un échantillonde Roche Réservoir
    • Cuiec, M. L. Recommandations Pour la Détermination de la Mouillabilité d'un échantillonde Roche Réservoir Oil Gas Sci. Technol. 1978, 33, 907-914
    • (1978) Oil Gas Sci. Technol. , vol.33 , pp. 907-914
    • Cuiec, M.L.1
  • 16
    • 82955211535 scopus 로고    scopus 로고
    • Surfactant Induced Reservoir Wettability Alteration: Recent Theoretical and Experimental Advances in Enhanced Oil Recovery
    • Wang, Y.; Xu, H.; Yu, W.; Bai, B.; Song, X.; Zhang, J. Surfactant Induced Reservoir Wettability Alteration: Recent Theoretical and Experimental Advances in Enhanced Oil Recovery Pet. Sci. 2011, 8, 463-476
    • (2011) Pet. Sci. , vol.8 , pp. 463-476
    • Wang, Y.1    Xu, H.2    Yu, W.3    Bai, B.4    Song, X.5    Zhang, J.6
  • 17
    • 0029412204 scopus 로고
    • Nature of Interactions between Organic Pure Liquids and Model Rocks: A Calorimetric Investigation
    • Partyka, S.; Douillard, J. M. Nature of Interactions Between Organic Pure Liquids and Model Rocks: A Calorimetric Investigation J. Pet. Sci. Eng. 1995, 13, 95-102
    • (1995) J. Pet. Sci. Eng. , vol.13 , pp. 95-102
    • Partyka, S.1    Douillard, J.M.2
  • 19
    • 33846320885 scopus 로고    scopus 로고
    • Structure and Reactivity of the Dolomite (104)-Water Interface: New Insights into the Dolomite Problem
    • Fenter, P.; Zhang, Z.; Park, C.; Sturchio, N. C.; Hu, X. M.; Higgins, S. R. Structure and Reactivity of the Dolomite (104)-Water Interface: New Insights into the Dolomite Problem Geochim. Cosmochim. Acta 2007, 71, 566-579
    • (2007) Geochim. Cosmochim. Acta , vol.71 , pp. 566-579
    • Fenter, P.1    Zhang, Z.2    Park, C.3    Sturchio, N.C.4    Hu, X.M.5    Higgins, S.R.6
  • 20
    • 0032461149 scopus 로고    scopus 로고
    • Atomistic Simulation of the Differences between Calcite and Dolomite Surfaces
    • Titiloye, J. O.; de Leeuw, N. H.; Parker, S. C. Atomistic Simulation of the Differences Between Calcite and Dolomite Surfaces Geochim. Cosmochim. Acta 1998, 62, 2637-2641
    • (1998) Geochim. Cosmochim. Acta , vol.62 , pp. 2637-2641
    • Titiloye, J.O.1    De Leeuw, N.H.2    Parker, S.C.3
  • 21
    • 0034828039 scopus 로고    scopus 로고
    • Surface-Water Interactions in the Dolomite Problem
    • de Leeuw, N. H.; Parker, S. C. Surface-Water Interactions in the Dolomite Problem Phys. Chem. Chem. Phys. 2001, 3, 3217-3221
    • (2001) Phys. Chem. Chem. Phys. , vol.3 , pp. 3217-3221
    • De Leeuw, N.H.1    Parker, S.C.2
  • 22
    • 2742590069 scopus 로고    scopus 로고
    • Atomistic Simulation of Oxide Surfaces and their Reactivity with Water
    • Parker, S. C.; de Leeuw, N. H.; Redfern, S. E. Atomistic Simulation of Oxide Surfaces and their Reactivity with Water Faraday Discuss. 1999, 114, 381-393
    • (1999) Faraday Discuss. , vol.114 , pp. 381-393
    • Parker, S.C.1    De Leeuw, N.H.2    Redfern, S.E.3
  • 23
    • 0035111559 scopus 로고    scopus 로고
    • Structure of the (1014) Surfaces of Calcite, Dolomite and Magnesite under Wet and Dry Conditions
    • Wright, K.; Cygan, R. T.; Slater, B. Structure of the (1014) Surfaces of Calcite, Dolomite and Magnesite Under Wet and Dry Conditions Phys. Chem. Chem. Phys. 2001, 3, 839-844
    • (2001) Phys. Chem. Chem. Phys. , vol.3 , pp. 839-844
    • Wright, K.1    Cygan, R.T.2    Slater, B.3
  • 24
    • 1642351062 scopus 로고    scopus 로고
    • Modelling Inorganic Solids and their Interfaces: A Combined Approach of Atomistic and Electronic Structure Simulation Techniques
    • Parker, S. C.; Kerisit, S.; Marmier, A.; Grigoleit, S.; Watson, G. W. Modelling Inorganic Solids and their Interfaces: A Combined Approach of Atomistic and Electronic Structure Simulation Techniques Faraday Discuss. 2003, 124, 155-170
    • (2003) Faraday Discuss. , vol.124 , pp. 155-170
    • Parker, S.C.1    Kerisit, S.2    Marmier, A.3    Grigoleit, S.4    Watson, G.W.5
  • 27
  • 29
    • 0028409206 scopus 로고
    • Surface Interactions between Silica Particles and Water and Organic Solvents
    • Douillard, J. M.; Elwafir, M.; Partyka, S. Surface Interactions Between Silica Particles and Water and Organic Solvents J. Colloid Interface Sci. 1994, 164, 238-244
    • (1994) J. Colloid Interface Sci. , vol.164 , pp. 238-244
    • Douillard, J.M.1    Elwafir, M.2    Partyka, S.3
  • 34
    • 84870586357 scopus 로고    scopus 로고
    • Appropriate Description of Intermolecular Interactions in the Methane Hydrates: An Assessment of DFT Methods
    • Liu, Y.; Zhao, J.; Li, F.; Chen, Z. Appropriate Description of Intermolecular Interactions in the Methane Hydrates: An Assessment of DFT Methods J. Comput. Chem. 2013, 34, 121-131
    • (2013) J. Comput. Chem. , vol.34 , pp. 121-131
    • Liu, Y.1    Zhao, J.2    Li, F.3    Chen, Z.4
  • 35
    • 84866908910 scopus 로고    scopus 로고
    • Nonstandard Cages in the Formation Process of Methane Clathrate: Stability, Structure, and Spectroscopic Implications from First-Principles
    • Tang, L.; Su, Y.; Liu, Y.; Zhao, J.; Qiu, R. Nonstandard Cages in the Formation Process of Methane Clathrate: Stability, Structure, and Spectroscopic Implications from First-Principles J. Chem. Phys. 2012, 136, 224508-10
    • (2012) J. Chem. Phys. , vol.136 , pp. 224508-224510
    • Tang, L.1    Su, Y.2    Liu, Y.3    Zhao, J.4    Qiu, R.5
  • 36
    • 4644265529 scopus 로고    scopus 로고
    • Improved Adsorption Energetics Within Density-Functional Theory Using Revised Perdew-Burke-Ernzerhof Functionals
    • Hammer, B.; Hansen, L. B.; Nørskov, J. K. Improved Adsorption Energetics Within Density-Functional Theory Using Revised Perdew-Burke-Ernzerhof Functionals Phys. Rev. B 1999, 59, 7413-7421
    • (1999) Phys. Rev. B , vol.59 , pp. 7413-7421
    • Hammer, B.1    Hansen, L.B.2    Nørskov, J.K.3
  • 37
    • 37649004452 scopus 로고    scopus 로고
    • Efficiency of Numerical Basis Sets for Predicting the Binding Energies of Hydrogen Bonded Complexes: Evidence of Small Basis Set Superposition Error Compared to Gaussian Basis Sets
    • Inada, Y.; Orita, H. Efficiency of Numerical Basis Sets for Predicting the Binding Energies of Hydrogen Bonded Complexes: Evidence of Small Basis Set Superposition Error Compared to Gaussian Basis Sets J. Comput. Chem. 2008, 29, 225-232
    • (2008) J. Comput. Chem. , vol.29 , pp. 225-232
    • Inada, Y.1    Orita, H.2
  • 39
    • 33750559983 scopus 로고    scopus 로고
    • Semiempirical GGA-Type Density Functional Constructed with a Long-Range Dispersion Correction
    • Grimme, S. Semiempirical GGA-Type Density Functional Constructed with a Long-Range Dispersion Correction J. Comput. Chem. 2006, 27, 1787-1799
    • (2006) J. Comput. Chem. , vol.27 , pp. 1787-1799
    • Grimme, S.1
  • 40
    • 84883427476 scopus 로고    scopus 로고
    • Workshop on Application of Density-Functional Theory in Condensed-Matter Physics
    • Surface Physics,Chemistry, Engineering, and Biology: Berlin, Germany
    • Behler, J.; Delley, B. DMol3 A Standard Tool for Density-Functional Calculations; Workshop on Application of Density-Functional Theory in Condensed-Matter Physics, Surface Physics,Chemistry, Engineering, and Biology: Berlin, Germany, 2003.
    • (2003) DMol3 A Standard Tool for Density-Functional Calculations
    • Behler, J.1    Delley, B.2
  • 41
    • 84864568559 scopus 로고    scopus 로고
    • Accelrys Inc. San Diego, CA, 2009
    • Accelrys Inc.; Materials Studio: San Diego, CA, 2009.
    • Materials Studio
  • 42
    • 0038170868 scopus 로고
    • Structural Refinements of Dolomite and a Magnesian Calcite and Implications for Dolomite Formation in the Marine Environment
    • Althoff, P. L. Structural Refinements of Dolomite and a Magnesian Calcite and Implications for Dolomite Formation in the Marine Environment Am. Mineral. 1977, 62, 772-783
    • (1977) Am. Mineral. , vol.62 , pp. 772-783
    • Althoff, P.L.1
  • 43
    • 0019715395 scopus 로고
    • Crystal Structure Refinements of Magnesite, Calcite, Rhodochrosite, Siderite, Smithonite, and Dolomite, with Discussion of Some Aspects of the Stereochemistry of Calcite type Carbonates
    • Effenberger, H.; Mereiter, K.; Zemann, J. Crystal Structure Refinements of Magnesite, Calcite, Rhodochrosite, Siderite, Smithonite, and Dolomite, with Discussion of Some Aspects of the Stereochemistry of Calcite type Carbonates Z. Kristallogr. 1981, 156, 233-243
    • (1981) Z. Kristallogr. , vol.156 , pp. 233-243
    • Effenberger, H.1    Mereiter, K.2    Zemann, J.3
  • 44
    • 84872494748 scopus 로고    scopus 로고
    • Adsorption of Glycine on Cometary Dust Grains: II - Effect of Amorphous Water Ice
    • Escamilla-Roa, E.; Moreno, F. Adsorption of Glycine on Cometary Dust Grains: II-Effect of Amorphous Water Ice Planetary and Space Sci. 2013, 75, 1-10
    • (2013) Planetary and Space Sci. , vol.75 , pp. 1-10
    • Escamilla-Roa, E.1    Moreno, F.2
  • 45
    • 0035859448 scopus 로고    scopus 로고
    • Thin Film Water on Muscovite Mica
    • Ewing, W.; Ewing, G. E. Thin Film Water on Muscovite Mica J. Phys. Chem. B 2001, 105, 5434-5439
    • (2001) J. Phys. Chem. B , vol.105 , pp. 5434-5439
    • Ewing, W.1    Ewing, G.E.2
  • 47
    • 73949101098 scopus 로고    scopus 로고
    • Molecular Structure and Spectroscopic Properties of Polyaromatic Heterocycles by First Principle Calculations: Spectroscopic Shifts with the Adsorption of Thiophene on Phyllosilicate Surface
    • Sainz-Díaz, C. I.; Francisco-Márquez, M.; Vivier-Bunge, A. Molecular Structure and Spectroscopic Properties of Polyaromatic Heterocycles by First Principle Calculations: Spectroscopic Shifts with the Adsorption of Thiophene on Phyllosilicate Surface Theor. Chem. Acc. 2010, 125, 83-95
    • (2010) Theor. Chem. Acc. , vol.125 , pp. 83-95
    • Sainz-Díaz, C.I.1    Francisco-Márquez, M.2    Vivier-Bunge, A.3


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