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Volumn 4, Issue 4, 2010, Pages 2035-2042

Ion-specific effects under confinement: The role of interfacial water

Author keywords

Aqueous electrolytes; Ions; Molecular dynamics simulation; Silica; Solid liquid interfaces; SPC E water

Indexed keywords

AQUEOUS ELECTROLYTE; AQUEOUS ELECTROLYTES; MOLECULAR DYNAMICS SIMULATION; MOLECULAR DYNAMICS SIMULATIONS; SOLID-LIQUID INTERFACES; SPC/E WATER;

EID: 77951729324     PISSN: 19360851     EISSN: 1936086X     Source Type: Journal    
DOI: 10.1021/nn100251g     Document Type: Article
Times cited : (139)

References (67)
  • 1
    • 67650567338 scopus 로고    scopus 로고
    • Nanofabrication techniques
    • Mailly, D. Nanofabrication techniques Eur. Phys. J. 2009, 172, 333-342
    • (2009) Eur. Phys. J. , vol.172 , pp. 333-342
    • Mailly, D.1
  • 3
    • 0034711410 scopus 로고    scopus 로고
    • From micro- to nanofabrication with soft materials
    • Quake, S. R.; Scherer, A. From micro- to nanofabrication with soft materials Science 2000, 290, 1536-1540
    • (2000) Science , vol.290 , pp. 1536-1540
    • Quake, S.R.1    Scherer, A.2
  • 4
    • 21644437442 scopus 로고    scopus 로고
    • Ionic transport phenomena in nanofluidics: Experimental and theoretical study of the exclusion-enrichment effect on a chip
    • Plecis, A.; Schoch, R. B.; Renaud, P. Ionic transport phenomena in nanofluidics: experimental and theoretical study of the exclusion-enrichment effect on a chip Nano Lett. 2005, 5, 1147-1155
    • (2005) Nano Lett. , vol.5 , pp. 1147-1155
    • Plecis, A.1    Schoch, R.B.2    Renaud, P.3
  • 6
    • 49449090221 scopus 로고    scopus 로고
    • Transport phenomena in nanofluidics
    • Schoch, R. B.; Han, J. Y.; Renaud, P. Transport phenomena in nanofluidics Rev. Mod. Phys. 2008, 80, 839-883
    • (2008) Rev. Mod. Phys. , vol.80 , pp. 839-883
    • Schoch, R.B.1    Han, J.Y.2    Renaud, P.3
  • 7
    • 36448955400 scopus 로고    scopus 로고
    • Liquid-infiltrated photonic crystals: Enhanced light-matter interactions for lab-on-a-chip applications
    • Mortensen, N. A.; Xiao, S. S.; Pedersen, J. Liquid-infiltrated photonic crystals: enhanced light-matter interactions for lab-on-a-chip applications Microfluid. Nanofluid. 2008, 4, 117-127
    • (2008) Microfluid. Nanofluid. , vol.4 , pp. 117-127
    • Mortensen, N.A.1    Xiao, S.S.2    Pedersen, J.3
  • 9
    • 0037198626 scopus 로고    scopus 로고
    • Crystal structure and mechanism of a calcium-gated potassium channel
    • Jiang, Y.; Lee, A.; Chen, J.; Cadene, M.; Chait, B. T.; MacKinnon, R. Crystal structure and mechanism of a calcium-gated potassium channel Nature 2002, 417, 515-522
    • (2002) Nature , vol.417 , pp. 515-522
    • Jiang, Y.1    Lee, A.2    Chen, J.3    Cadene, M.4    Chait, B.T.5    MacKinnon, R.6
  • 11
    • 39649089584 scopus 로고    scopus 로고
    • Designing carbon nanotube membranes for efficient water desalination
    • Corry, B. Designing carbon nanotube membranes for efficient water desalination J. Phys. Chem. B 2007, 112, 1427-1434
    • (2007) J. Phys. Chem. B , vol.112 , pp. 1427-1434
    • Corry, B.1
  • 12
    • 33644887769 scopus 로고    scopus 로고
    • Salt permeation and exclusion in hydroxylated and functionalized silica pores
    • Leung, K.; Rempe, S. B.; Lorenz, C. D. Salt permeation and exclusion in hydroxylated and functionalized silica pores Phys. Rev. Lett. 2006, 96, 095504-4
    • (2006) Phys. Rev. Lett. , vol.96 , pp. 095504-4
    • Leung, K.1    Rempe, S.B.2    Lorenz, C.D.3
  • 16
    • 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. W.; 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.W.1    Kalinichev, A.G.2    Kirkpatrick, R.J.3
  • 17
    • 33644784102 scopus 로고    scopus 로고
    • Development of an empirical force field for silica. Application to the quartz-water interface
    • Lopes, P. E. M.; Murashov, V.; Tazi, M.; Demchuk, E.; MacKerell, A. D. 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
  • 18
    • 36048930441 scopus 로고    scopus 로고
    • Liquid water confined in carbon nanochannels at high temperatures
    • Nagy, G.; Gordillo, M. C.; Guardia, E.; Marti, J. Liquid water confined in carbon nanochannels at high temperatures J. Phys. Chem. B 2007, 111, 12524-12530
    • (2007) J. Phys. Chem. B , vol.111 , pp. 12524-12530
    • Nagy, G.1    Gordillo, M.C.2    Guardia, E.3    Marti, J.4
  • 19
    • 33847230717 scopus 로고    scopus 로고
    • Hydration behavior under confinement by nanoscale surfaces with patterned hydrophobicity and hydrophilicity
    • Giovambattista, N.; Debenedetti, P. G.; Rossky, P. J. Hydration behavior under confinement by nanoscale surfaces with patterned hydrophobicity and hydrophilicity J. Phys. Chem. C 2007, 111, 1323-1332
    • (2007) J. Phys. Chem. C , vol.111 , pp. 1323-1332
    • Giovambattista, N.1    Debenedetti, P.G.2    Rossky, P.J.3
  • 20
    • 34250731857 scopus 로고    scopus 로고
    • Molecular simulation of the phase behavior of water confined in silica nanopores
    • Shirono, K.; Daiguji, H. Molecular simulation of the phase behavior of water confined in silica nanopores J. Phys. Chem. C 2007, 111, 7938-7946
    • (2007) J. Phys. Chem. C , vol.111 , pp. 7938-7946
    • Shirono, K.1    Daiguji, H.2
  • 21
    • 64349093927 scopus 로고    scopus 로고
    • Molecular dynamics simulations of the orthoclase (001)- and (010)-water interfaces
    • Kerisit, S.; Liu, C. X.; Ilton, E. S. Molecular dynamics simulations of the orthoclase (001)- and (010)-water interfaces Geochim. Cosmochim. Acta 2008, 72, 1481-1497
    • (2008) Geochim. Cosmochim. Acta , vol.72 , pp. 1481-1497
    • Kerisit, S.1    Liu, C.X.2    Ilton, E.S.3
  • 22
    • 61349124857 scopus 로고    scopus 로고
    • Structural and dielectric properties of quartz-water interfaces
    • Wander, M. C. F.; Clark, A. E. Structural and dielectric properties of quartz-water interfaces J. Phys. Chem. C 2008, 112, 19986-19994
    • (2008) J. Phys. Chem. C , vol.112 , pp. 19986-19994
    • Wander, M.C.F.1    Clark, A.E.2
  • 23
    • 0037103824 scopus 로고    scopus 로고
    • Molecular dynamics description of a layer of water molecules on a hydrophobic surface
    • Gordillo, M. C.; Marti, J. Molecular dynamics description of a layer of water molecules on a hydrophobic surface J. Chem. Phys. 2002, 117, 3425-3430
    • (2002) J. Chem. Phys. , vol.117 , pp. 3425-3430
    • Gordillo, M.C.1    Marti, J.2
  • 24
    • 33646406023 scopus 로고    scopus 로고
    • The mechanism of water diffusion in narrow carbon nanotubes
    • Striolo, A. The mechanism of water diffusion in narrow carbon nanotubes Nano Lett. 2006, 6, 633-639
    • (2006) Nano Lett. , vol.6 , pp. 633-639
    • Striolo, A.1
  • 25
    • 52649172713 scopus 로고    scopus 로고
    • Molecular structure and dynamics in thin water films at the silica and graphite surfaces
    • Argyris, D.; Tummala, N. R.; Striolo, A.; Cole, D. R. Molecular structure and dynamics in thin water films at the silica and graphite surfaces J. Phys. Chem. C 2008, 112, 13587-13599
    • (2008) J. Phys. Chem. C , vol.112 , pp. 13587-13599
    • Argyris, D.1    Tummala, N.R.2    Striolo, A.3    Cole, D.R.4
  • 26
    • 70449556521 scopus 로고    scopus 로고
    • Dynamic behavior of interfacial water at the silica surface
    • Argyris, D.; Cole, D. R.; Striolo, A. Dynamic behavior of interfacial water at the silica surface J. Phys. Chem. C 2009, 113, 19591-19600
    • (2009) J. Phys. Chem. C , vol.113 , pp. 19591-19600
    • Argyris, D.1    Cole, D.R.2    Striolo, A.3
  • 27
    • 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
  • 28
    • 33644990239 scopus 로고    scopus 로고
    • Diffusion of water in clays on the microscopic scale: Modeling and experiment
    • Malikova, N.; Cadene, A.; Marry, V.; Dubois, E.; Turq, P. Diffusion of water in clays on the microscopic scale: modeling and experiment J. Phys. Chem. B 2006, 110, 3206-3214
    • (2006) J. Phys. Chem. B , vol.110 , pp. 3206-3214
    • Malikova, N.1    Cadene, A.2    Marry, V.3    Dubois, E.4    Turq, P.5
  • 29
    • 49349095112 scopus 로고    scopus 로고
    • Average molecular orientations in the adsorbed water layers on silicon oxide in ambient conditions
    • Barnette, A. L.; Asay, D. B.; Kim, S. H. Average molecular orientations in the adsorbed water layers on silicon oxide in ambient conditions Phys. Chem. Chem. Phys. 2008, 10, 4981-4986
    • (2008) Phys. Chem. Chem. Phys. , vol.10 , pp. 4981-4986
    • Barnette, A.L.1    Asay, D.B.2    Kim, S.H.3
  • 32
    • 0036469957 scopus 로고    scopus 로고
    • Electro-osmosis in a nanometer-scale channel studied by atomistic simulation
    • Freund, J. B. Electro-osmosis in a nanometer-scale channel studied by atomistic simulation J. Chem. Phys. 2002, 116, 2194-2200
    • (2002) J. Chem. Phys. , vol.116 , pp. 2194-2200
    • Freund, J.B.1
  • 33
    • 0037426173 scopus 로고    scopus 로고
    • Ion concentrations and velocity profiles in nanochannel electroosmotic flows
    • Qiao, R.; Aluru, N. R. Ion concentrations and velocity profiles in nanochannel electroosmotic flows J. Chem. Phys. 2003, 118, 4692-4701
    • (2003) J. Chem. Phys. , vol.118 , pp. 4692-4701
    • Qiao, R.1    Aluru, N.R.2
  • 34
    • 0037044967 scopus 로고    scopus 로고
    • Monte Carlo simulations of electrical double-layer formation in nanopores
    • Yang, K.-L.; Yiacoumi, S.; Tsouris, C. Monte Carlo simulations of electrical double-layer formation in nanopores J. Chem. Phys. 2002, 117, 8499-8507
    • (2002) J. Chem. Phys. , vol.117 , pp. 8499-8507
    • Yang, K.-L.1    Yiacoumi, S.2    Tsouris, C.3
  • 35
    • 42449161957 scopus 로고    scopus 로고
    • Co-ion and ion competition effects: Ion distributions close to a hydrophobic solid surface in mixed electrolyte solutions
    • Lima, E. R. A.; Bostrom, M.; Horinek, D.; Biscaia, E. C.; Kunz, W.; Tavares, F. W. Co-ion and ion competition effects: ion distributions close to a hydrophobic solid surface in mixed electrolyte solutions Langmuir 2008, 24, 3944-3948
    • (2008) Langmuir , vol.24 , pp. 3944-3948
    • Lima, E.R.A.1    Bostrom, M.2    Horinek, D.3    Biscaia, E.C.4    Kunz, W.5    Tavares, F.W.6
  • 36
    • 39649089584 scopus 로고    scopus 로고
    • Designing carbon nanotube membranes for efficient water desalination
    • Corry, B. Designing carbon nanotube membranes for efficient water desalination J. Phys. Chem. B 2008, 112, 1427-1434
    • (2008) J. Phys. Chem. B , vol.112 , pp. 1427-1434
    • Corry, B.1
  • 37
    • 57549101676 scopus 로고    scopus 로고
    • Selective ion passage through functionalized graphene nanopores
    • Sint, K.; Wang, B.; Kral, P. Selective ion passage through functionalized graphene nanopores J. Am. Chem. Soc. 2008, 130, 16448
    • (2008) J. Am. Chem. Soc. , vol.130 , pp. 16448
    • Sint, K.1    Wang, B.2    Kral, P.3
  • 38
    • 0042838377 scopus 로고    scopus 로고
    • Osmotic water transport through carbon nanotube membranes
    • Kalra, A.; Garde, S.; Hummer, G. Osmotic water transport through carbon nanotube membranes Proc. Natl. Acad. Sci. U.S.A. 2003, 100, 10175-10180
    • (2003) Proc. Natl. Acad. Sci. U.S.A. , vol.100 , pp. 10175-10180
    • Kalra, A.1    Garde, S.2    Hummer, G.3
  • 39
    • 25844502042 scopus 로고    scopus 로고
    • Ion transport through membrane-spanning nanopores studied by molecular dynamics simulations and continuum electrostatics calculations
    • Peter, C.; Hummer, G. Ion transport through membrane-spanning nanopores studied by molecular dynamics simulations and continuum electrostatics calculations. Biophys. J. 2005, 89, 2222-2234.
    • (2005) Biophys. J. , vol.89 , pp. 2222-2234
    • Peter, C.1    Hummer, G.2
  • 40
    • 49249086688 scopus 로고    scopus 로고
    • Molecular dynamics of ionic transport and electrokinetic effects in realistic silica channels
    • Lorenz, C. D.; Crozier, P. S.; Anderson, J. A.; Travesset, A. Molecular dynamics of ionic transport and electrokinetic effects in realistic silica channels J. Phys. Chem. C 2008, 112, 10222-10232
    • (2008) J. Phys. Chem. C , vol.112 , pp. 10222-10232
    • Lorenz, C.D.1    Crozier, P.S.2    Anderson, J.A.3    Travesset, A.4
  • 41
    • 61949450346 scopus 로고    scopus 로고
    • Molecular simulation of ion transport in silica nanopores
    • Shirono, K.; Tatsumi, N.; Daiguji, H. Molecular simulation of ion transport in silica nanopores J. Phys. Chem. B 2009, 113, 1041-1047
    • (2009) J. Phys. Chem. B , vol.113 , pp. 1041-1047
    • Shirono, K.1    Tatsumi, N.2    Daiguji, H.3
  • 42
    • 33751269963 scopus 로고    scopus 로고
    • Molecular dynamics simulations of electrolyte solutions at the (100) goethite surface
    • Kerisit, S.; Ilton, E. S.; Parker, S. C. Molecular dynamics simulations of electrolyte solutions at the (100) goethite surface J. Phys. Chem. B 2006, 110, 20491-20501
    • (2006) J. Phys. Chem. B , vol.110 , pp. 20491-20501
    • Kerisit, S.1    Ilton, E.S.2    Parker, S.C.3
  • 43
    • 49449101411 scopus 로고    scopus 로고
    • Structure and dynamics of water at a clay surface from molecular dynamics simulation
    • Marry, V.; Rotenberg, B.; Turq, P. Structure and dynamics of water at a clay surface from molecular dynamics simulation Phys. Chem. Chem. Phys. 2008, 10, 4802-4813
    • (2008) Phys. Chem. Chem. Phys. , vol.10 , pp. 4802-4813
    • Marry, V.1    Rotenberg, B.2    Turq, P.3
  • 44
    • 0542436251 scopus 로고    scopus 로고
    • Molecular dynamics simulation of ion mobility 0.2. 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 0.2. 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
  • 45
    • 0034319598 scopus 로고    scopus 로고
    • Computer simulation studies of aqueous sodium chloride solutions at 298 K and 683 K
    • Koneshan, S.; Rasaiah, J. C. Computer simulation studies of aqueous sodium chloride solutions at 298 K and 683 K J. Chem. Phys. 2000, 113, 8125-8137
    • (2000) J. Chem. Phys. , vol.113 , pp. 8125-8137
    • Koneshan, S.1    Rasaiah, J.C.2
  • 46
    • 33846098276 scopus 로고    scopus 로고
    • Solubility of KF and NaCl in water by molecular simulation
    • Sanz, E.; Vega, C. Solubility of KF and NaCl in water by molecular simulation J. Chem. Phys. 2007, 126, 014507-13
    • (2007) J. Chem. Phys. , vol.126 , pp. 014507-13
    • Sanz, E.1    Vega, C.2
  • 47
    • 33847130148 scopus 로고    scopus 로고
    • Structural and dynamic properties of concentrated alkali halide solutions: A molecular dynamics simulation study
    • Du, H.; Rasaiah, J. C.; Miller, J. D. Structural and dynamic properties of concentrated alkali halide solutions: A molecular dynamics simulation study J. Phys. Chem. B 2007, 111, 209-217
    • (2007) J. Phys. Chem. B , vol.111 , pp. 209-217
    • Du, H.1    Rasaiah, J.C.2    Miller, J.D.3
  • 48
    • 84955839403 scopus 로고
    • Landau free energy and order parameter behaviour of the ab phase. Transition in cristobalite
    • Schmahl, W. W.; Swainson, I. P.; Dove, M. T.; Graeme-Barber, A. Landau free energy and order parameter behaviour of the ab phase. Transition in cristobalite Z. Kristallogr. 1992, 201, 125-145
    • (1992) Z. Kristallogr. , vol.201 , pp. 125-145
    • Schmahl, W.W.1    Swainson, I.P.2    Dove, M.T.3    Graeme-Barber, A.4
  • 49
    • 0345415022 scopus 로고    scopus 로고
    • Grand canonical Monte Carlo simulation study of water structure on hydrophilic mesoporous and plane silica substrates
    • Puibasset, J.; Pellenq, R. J. M. Grand canonical Monte Carlo simulation study of water structure on hydrophilic mesoporous and plane silica substrates J. Chem. Phys. 2003, 119, 9226-9232
    • (2003) J. Chem. Phys. , vol.119 , pp. 9226-9232
    • Puibasset, J.1    Pellenq, R.J.M.2
  • 50
    • 0034634766 scopus 로고    scopus 로고
    • The surface chemistry of amorphous silica. Zhuravlev model
    • Zhuravlev, L. T. The surface chemistry of amorphous silica. Zhuravlev model Colloids Surf., A 2000, 173, 1-38
    • (2000) Colloids Surf., A , vol.173 , pp. 1-38
    • Zhuravlev, L.T.1
  • 51
    • 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
  • 53
    • 84986440341 scopus 로고
    • SETTLE: An analytical version of the SHAKE and RATTLE algorithm for rigid water models
    • Miyamoto, S.; Kollman, P. A. SETTLE: an analytical version of the SHAKE and RATTLE algorithm for rigid water models J. Comput. Chem. 1992, 13, 952-962
    • (1992) J. Comput. Chem. , vol.13 , pp. 952-962
    • Miyamoto, S.1    Kollman, P.A.2
  • 56
    • 0011108916 scopus 로고
    • Computer simulations of NaCl association in polarizable water
    • Smith, D. E.; Dang, L. X. Computer simulations of NaCl association in polarizable water J. Chem. Phys. 1994, 100, 3757-3766
    • (1994) J. Chem. Phys. , vol.100 , pp. 3757-3766
    • Smith, D.E.1    Dang, L.X.2
  • 57
    • 0012340894 scopus 로고
    • + to 18-crown-6 in water. A molecular dynamics study including counter ions
    • + to 18-crown-6 in water. A molecular dynamics study including counter ions Chem. Phys. Lett. 1994, 227, 211-214
    • (1994) Chem. Phys. Lett. , vol.227 , pp. 211-214
    • Dang, L.X.1
  • 58
    • 4344665114 scopus 로고    scopus 로고
    • Electric double layer at the rutile (110) surface. 2. Adsorption of ions from molecular dynamics and X-ray experiments
    • Predota, 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
    • Predota, M.1    Zhang, Z.2    Fenter, P.3    Wesolowski, D.J.4    Cummings, P.T.5
  • 59
    • 84943502952 scopus 로고
    • A Molecular-dynamics method for simulations in the canonical ensemble
    • Nose, S. A Molecular-dynamics method for simulations in the canonical ensemble Mol. Phys. 1984, 52, 255-268
    • (1984) Mol. Phys. , vol.52 , pp. 255-268
    • Nose, S.1
  • 60
    • 0001538909 scopus 로고
    • Canonical dynamics - Equilibrium phase-space distributions
    • Hoover, W. G. Canonical dynamics - equilibrium phase-space distributions Phys. Rev. A 1985, 31, 1695-1697
    • (1985) Phys. Rev. A , vol.31 , pp. 1695-1697
    • Hoover, W.G.1
  • 61
    • 0035789518 scopus 로고    scopus 로고
    • GROMACS 3.0: A package for molecular simulation and trajectory analysis
    • Lindahl, E.; Hess, B.; van der Spoel, D. GROMACS 3.0: a package for molecular simulation and trajectory analysis J. Mol. Model. 2001, 7, 306-317
    • (2001) J. Mol. Model. , vol.7 , pp. 306-317
    • Lindahl, E.1    Hess, B.2    Van Der Spoel, D.3
  • 63
    • 46249092554 scopus 로고    scopus 로고
    • GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation
    • Hess, B.; Kutzner, C.; vanderSpoel, D.; Lindahl, E. GROMACS 4: algorithms for highly efficient, load-balanced, and scalable molecular simulation J. Chem. Theory Comput. 2008, 4, 435-447
    • (2008) J. Chem. Theory Comput. , vol.4 , pp. 435-447
    • Hess, B.1    Kutzner, C.2    Vanderspoel, D.3    Lindahl, E.4
  • 64
    • 0347784245 scopus 로고
    • Quiet high-resolution computer models of a plasma
    • Hockney, R. W.; Goel, S. P.; Eastwood, J. W. Quiet high-resolution computer models of a plasma J. Comput. Phys. 1974, 14, 148-158
    • (1974) J. Comput. Phys. , vol.14 , pp. 148-158
    • Hockney, R.W.1    Goel, S.P.2    Eastwood, J.W.3
  • 65
    • 67651093789 scopus 로고    scopus 로고
    • Hydration structure on crystalline silica substrates
    • Argyris, D.; Cole, D. R.; Striolo, A. Hydration structure on crystalline silica substrates Langmuir 2009, 25, 8025-8035
    • (2009) Langmuir , vol.25 , pp. 8025-8035
    • Argyris, D.1    Cole, D.R.2    Striolo, A.3
  • 66
    • 0037461001 scopus 로고    scopus 로고
    • Water adsorption on hydrophilic mesoporous and plane silica substrates: A grand canonical Monte Carlo simulation study
    • Puibasset, J.; Pellenq, R. J. M. Water adsorption on hydrophilic mesoporous and plane silica substrates: a grand canonical Monte Carlo simulation study J. Chem. Phys. 2003, 118, 5613-5622
    • (2003) J. Chem. Phys. , vol.118 , pp. 5613-5622
    • Puibasset, J.1    Pellenq, R.J.M.2
  • 67
    • 61949305938 scopus 로고    scopus 로고
    • Effect of surface polarity on the structure and dynamics of water in nanoscale confinement
    • Castrillon, S. R. V.; Giovambattista, N.; Aksay, I. A.; Debenedetti, P. G. Effect of surface polarity on the structure and dynamics of water in nanoscale confinement J. Phys. Chem. B 2009, 113, 1438-1446
    • (2009) J. Phys. Chem. B , vol.113 , pp. 1438-1446
    • Castrillon, S.R.V.1    Giovambattista, N.2    Aksay, I.A.3    Debenedetti, P.G.4


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