메뉴 건너뛰기




Volumn 117, Issue 44, 2013, Pages 22852-22866

Electric double layer at the rutile (110) surface. 4. effect of temperature and ph on the adsorption and dynamics of ions

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION INTERACTIONS; EFFECT OF TEMPERATURE; ELECTRIC DOUBLE LAYER; HYDRATION ENERGIES; INCREASING TEMPERATURES; MACROSCOPIC SURFACES; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR LEVELS;

EID: 84889825605     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp407124p     Document Type: Article
Times cited : (33)

References (40)
  • 3
    • 31344460392 scopus 로고    scopus 로고
    • Effects of substrate structure and composition on the structure, dynamics, and energetics of water at mineral surfaces: A molecular dynamics modeling study
    • Wang, J.; Kalinichev, A. G.; Kirkpatrick, R. J. Effects of substrate structure and composition on the structure, dynamics, and energetics of water at mineral surfaces: A molecular dynamics modeling study Geochim. Cosmochim. Acta 2006, 70, 562-582
    • (2006) Geochim. Cosmochim. Acta , vol.70 , pp. 562-582
    • Wang, J.1    Kalinichev, A.G.2    Kirkpatrick, R.J.3
  • 4
    • 84867735462 scopus 로고    scopus 로고
    • Calcite surface structure and reactivity: Molecular dynamics simulations and macroscopic surface modelling of the calcite-water interface
    • Wolthers, M.; Di Tommaso, D.; Du, Z.; de Leeuw, N. H. Calcite surface structure and reactivity: Molecular dynamics simulations and macroscopic surface modelling of the calcite-water interface Phys. Chem. Chem. Phys. 2012, 14, 15145-15157
    • (2012) Phys. Chem. Chem. Phys. , vol.14 , pp. 15145-15157
    • Wolthers, M.1    Di Tommaso, D.2    Du, Z.3    De Leeuw, N.H.4
  • 6
    • 70349470977 scopus 로고    scopus 로고
    • Comparison of molecular dynamics simulations with triple layer and modified Gouy-Chapman models in a 0.1 M NaCl-montmorillonite system
    • Tournassat, C.; Chapron, Y.; Leroy, P.; Bizi, M.; Boulahya, F. Comparison of molecular dynamics simulations with triple layer and modified Gouy-Chapman models in a 0.1 M NaCl-montmorillonite system J. Colloid Interface Sci. 2009, 339, 533-541
    • (2009) J. Colloid Interface Sci. , vol.339 , pp. 533-541
    • Tournassat, C.1    Chapron, Y.2    Leroy, P.3    Bizi, M.4    Boulahya, F.5
  • 11
    • 84863067416 scopus 로고    scopus 로고
    • Modeling the Interaction between Integrin-Binding Peptide (RGD) and Rutile Surface: The Effect of Cation Mediation on Asp Adsorption
    • Wu, C.; Skelton, A. A.; Chen, M.; Vlček, L.; Cummings, P. T. Modeling the Interaction between Integrin-Binding Peptide (RGD) and Rutile Surface: The Effect of Cation Mediation on Asp Adsorption Langmuir 2012, 28, 2799-2811
    • (2012) Langmuir , vol.28 , pp. 2799-2811
    • Wu, C.1    Skelton, A.A.2    Chen, M.3    Vlček, L.4    Cummings, P.T.5
  • 12
    • 84875947048 scopus 로고    scopus 로고
    • Temperature effects on alkaline earth metal ions adsorption on gibbsite: Approaches from macroscopic sorption experiments and molecular dynamics simulations
    • Katz, L. E.; Criscenti, L. J.; Chen, C.-c.; Larentzos, J. P.; Liljestrand, H. M. Temperature effects on alkaline earth metal ions adsorption on gibbsite: Approaches from macroscopic sorption experiments and molecular dynamics simulations J. Colloid Interface Sci. 2013, 399, 68-76
    • (2013) J. Colloid Interface Sci. , vol.399 , pp. 68-76
    • Katz, L.E.1    Criscenti, L.J.2    Larentzos, J.P.3    Liljestrand, H.M.4
  • 13
    • 4344659418 scopus 로고    scopus 로고
    • Electric Double Layer at the Rutile (110) Surface. 1. Structure of Surfaces and Interfacial Water from Molecular Dynamics by Use of ab Initio Potentials
    • Předota, M.; Bandura, A. V.; Cummings, P. T.; Kubicki, J. D.; Wesolowski, D. J.; Chialvo, A. A.; Machesky, M. L. Electric Double Layer at the Rutile (110) Surface. 1. Structure of Surfaces and Interfacial Water from Molecular Dynamics by Use of ab Initio Potentials J. Phys. Chem. B 2004, 108, 12049-12060
    • (2004) J. Phys. Chem. B , vol.108 , pp. 12049-12060
    • Předota, M.1    Bandura, A.V.2    Cummings, P.T.3    Kubicki, J.D.4    Wesolowski, D.J.5    Chialvo, A.A.6    Machesky, M.L.7
  • 14
    • 4344665114 scopus 로고    scopus 로고
    • Electric Double Layer at the Rutile (110) Surface. 2. Adsorption of Ions from Molecular Dynamics and X-ray Experiments
    • Předota, M.; Zhang, Z.; Fenter, P.; Wesolowski, D. J.; Cummings, P. T. Electric Double Layer at the Rutile (110) Surface. 2. Adsorption of Ions from Molecular Dynamics and X-ray Experiments J. Phys. Chem. B 2004, 108, 12061-12072
    • (2004) J. Phys. Chem. B , vol.108 , pp. 12061-12072
    • Předota, M.1    Zhang, Z.2    Fenter, P.3    Wesolowski, D.J.4    Cummings, P.T.5
  • 15
    • 33847081224 scopus 로고    scopus 로고
    • Comment on Parts 1 and 2 of the Series "electric Double Layer at the Rutile (110) Surface"
    • Předota, M.; Vlcek, L. Comment on Parts 1 and 2 of the Series "Electric Double Layer at the Rutile (110) Surface" J. Phys. Chem. B 2007, 111, 1245-1247
    • (2007) J. Phys. Chem. B , vol.111 , pp. 1245-1247
    • Předota, M.1    Vlcek, L.2
  • 20
    • 0035879519 scopus 로고    scopus 로고
    • On the temperature dependence of intrinsic surface protonation equilibrium constants: An extension of the revised MUSIC model
    • Machesky, M. L.; Wesolowski, D. J.; Palmer, D. A.; Ridley, M. K. On the temperature dependence of intrinsic surface protonation equilibrium constants: An extension of the revised MUSIC model J. Colloid Interface Sci. 2001, 239, 314-327
    • (2001) J. Colloid Interface Sci. , vol.239 , pp. 314-327
    • Machesky, M.L.1    Wesolowski, D.J.2    Palmer, D.A.3    Ridley, M.K.4
  • 24
    • 0141917879 scopus 로고    scopus 로고
    • NIST Standard Reference Database 69; Lindstrom, P. J. Mallard, W. G. National Institute of Standards and Technology: Gaithersburg, MD.
    • Lemmon, E. W.; McLinden, M. O.; Friend, D. G. In NIST Chemistry WebBook; NIST Standard Reference Database 69; Lindstrom, P. J.; Mallard, W. G., Eds.; National Institute of Standards and Technology: Gaithersburg, MD, 2011.
    • (2011) NIST Chemistry WebBook
    • Lemmon, E.W.1    McLinden, M.O.2    Friend, D.G.3
  • 26
    • 34047266045 scopus 로고    scopus 로고
    • Dynamics and Structure of Hydration Water on Rutile and Cassiterite Nanopowders Studied by Quasielastic Neutron Scattering and Molecular Dynamics Simulations
    • Mamontov, E.; Vlcek, L.; Wesolowski, D. J.; Cummings, P. T.; Wang, W.; Anovitz, L. M.; Rosenqvist, J.; Brown, C. M.; Garcia Sakai, V. Dynamics and Structure of Hydration Water on Rutile and Cassiterite Nanopowders Studied by Quasielastic Neutron Scattering and Molecular Dynamics Simulations J. Phys. Chem. C 2007, 111, 4328-4341
    • (2007) J. Phys. Chem. C , vol.111 , pp. 4328-4341
    • Mamontov, E.1    Vlcek, L.2    Wesolowski, D.J.3    Cummings, P.T.4    Wang, W.5    Anovitz, L.M.6    Rosenqvist, J.7    Brown, C.M.8    Garcia Sakai, V.9
  • 27
    • 33847708322 scopus 로고    scopus 로고
    • Electric Double Layer at the Rutile (110) Surface. 3. Inhomogeneous Viscosity and Diffusivity Measurement by Computer Simulations
    • Předota, M.; Cummings, P. T.; Wesolowski, D. J. Electric Double Layer at the Rutile (110) Surface. 3. Inhomogeneous Viscosity and Diffusivity Measurement by Computer Simulations J. Phys. Chem. B 2007, 111, 3071-3079
    • (2007) J. Phys. Chem. B , vol.111 , pp. 3071-3079
    • Předota, M.1    Cummings, P.T.2    Wesolowski, D.J.3
  • 28
    • 0542436251 scopus 로고    scopus 로고
    • Molecular Dynamics Simulation of Ion Mobility. 2. Alkali Metal and Halide Ions Using the SPC/E Model for Water at 25 C
    • Lee, S. H.; Rasaiah, J. C. Molecular Dynamics Simulation of Ion Mobility. 2. Alkali Metal and Halide Ions Using the SPC/E Model for Water at 25 C J. Phys. Chem. 1996, 100, 1420-1425
    • (1996) J. Phys. Chem. , vol.100 , pp. 1420-1425
    • Lee, S.H.1    Rasaiah, J.C.2
  • 29
    • 84867907561 scopus 로고    scopus 로고
    • 93 rd ed. Haynes, W. M. CRC Press/Taylor and Francis: Boca Raton, FL.
    • Vanysek, P. In CRC Handbook of Chemistry and Physics, 93 rd ed.; Haynes, W. M., Ed.; CRC Press/Taylor and Francis: Boca Raton, FL, 2013.
    • (2013) CRC Handbook of Chemistry and Physics
    • Vanysek, P.1
  • 31
    • 50649083648 scopus 로고    scopus 로고
    • Dynamics of Hydration Water on Rutile Studied by Backscattering Neutron Spectroscopy and Molecular Dynamics Simulation
    • Mamontov, E.; Wesolowski, D. J.; Vlcek, L.; Cummings, P. T.; Rosenqvist, J.; Wang, W.; Cole, D. R. Dynamics of Hydration Water on Rutile Studied by Backscattering Neutron Spectroscopy and Molecular Dynamics Simulation J. Phys. Chem. C 2008, 112, 12334-12341
    • (2008) J. Phys. Chem. C , vol.112 , pp. 12334-12341
    • Mamontov, E.1    Wesolowski, D.J.2    Vlcek, L.3    Cummings, P.T.4    Rosenqvist, J.5    Wang, W.6    Cole, D.R.7
  • 33
    • 0042936805 scopus 로고
    • Self-diffusion in normal and heavy water in the range 1-45
    • Mills, R. Self-diffusion in normal and heavy water in the range 1-45 J. Phys. Chem. 1973, 77, 685-688
    • (1973) J. Phys. Chem. , vol.77 , pp. 685-688
    • Mills, R.1
  • 34
    • 74249112635 scopus 로고    scopus 로고
    • 2 (110)-Electrolyte Interface Observed with Resonant Anomalous X-ray Reflectivity
    • 2 (110)-Electrolyte Interface Observed with Resonant Anomalous X-ray Reflectivity Langmuir 2009, 26, 950-958
    • (2009) Langmuir , vol.26 , pp. 950-958
    • Kohli, V.1    Zhang, Z.2    Park, C.3    Fenter, P.4
  • 35
    • 0007600745 scopus 로고
    • Infra-red study of hydrogen chloride adsorption on rutile surfaces
    • Parfitt, G. D.; Ramsbotham, J.; Rochester, C. H. Infra-red study of hydrogen chloride adsorption on rutile surfaces Trans. Faraday Soc. 1971, 67, 3100-3109
    • (1971) Trans. Faraday Soc. , vol.67 , pp. 3100-3109
    • Parfitt, G.D.1    Ramsbotham, J.2    Rochester, C.H.3
  • 36
    • 0033396943 scopus 로고    scopus 로고
    • An EXAFS study of solvation and ion pairing in aqueous strontium solutions to 300 C
    • Seward, T. M.; Henderson, C. M. B.; Charnock, J. M.; Driesner, T. An EXAFS study of solvation and ion pairing in aqueous strontium solutions to 300 C Geochim. Cosmochim. Acta 1999, 63, 2409-2418
    • (1999) Geochim. Cosmochim. Acta , vol.63 , pp. 2409-2418
    • Seward, T.M.1    Henderson, C.M.B.2    Charnock, J.M.3    Driesner, T.4
  • 37
    • 0018997507 scopus 로고
    • A comparison of electrostatic models for the oxide/solution interface
    • Westall, J.; Hohl, H. A comparison of electrostatic models for the oxide/solution interface Adv. Colloid Interface Sci. 1980, 12, 265-294
    • (1980) Adv. Colloid Interface Sci. , vol.12 , pp. 265-294
    • Westall, J.1    Hohl, H.2
  • 39
    • 33646094717 scopus 로고    scopus 로고
    • Prediction of the speciation of alkaline earths adsorbed on mineral surfaces in salt solutions
    • Sverjensky, D. A. Prediction of the speciation of alkaline earths adsorbed on mineral surfaces in salt solutions Geochim. Cosmochim. Acta 2006, 70, 2427-2453
    • (2006) Geochim. Cosmochim. Acta , vol.70 , pp. 2427-2453
    • Sverjensky, D.A.1
  • 40
    • 61849120849 scopus 로고    scopus 로고
    • Inner-sphere complexation of cations at the rutile-water interface: A concise surface structural interpretation with the CD and MUSIC model
    • Ridley, M. K.; Hiemstra, T.; van Riemsdijk, W. H.; Machesky, M. L. Inner-sphere complexation of cations at the rutile-water interface: A concise surface structural interpretation with the CD and MUSIC model Geochim. Cosmochim. Acta 2009, 73, 1841-1856
    • (2009) Geochim. Cosmochim. Acta , vol.73 , pp. 1841-1856
    • Ridley, M.K.1    Hiemstra, T.2    Van Riemsdijk, W.H.3    Machesky, M.L.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.