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Volumn 52, Issue 3, 2004, Pages 357-374

Effect of the tetrahedral charge on the order-disorder of the cation distribution in the octahedral sheet of smectites and illites by computational methods

Author keywords

Cation ordering; Clay minerals; Illites; Monte Carlo simulations; Smectites

Indexed keywords

COMPUTER SIMULATION; MATHEMATICAL MODELS; MONTE CARLO METHODS; NUCLEAR MAGNETIC RESONANCE; POSITIVE IONS;

EID: 17144435815     PISSN: 00098604     EISSN: None     Source Type: Journal    
DOI: 10.1346/CCMN.2004.0520311     Document Type: Article
Times cited : (11)

References (26)
  • 1
    • 0000558555 scopus 로고
    • Analysis of cation distribution in dioctahedral micaceous minerals on the basis of IR spectroscopy data
    • Besson, G., Drits V.A., Dainyak, L.G. and Smoliar, B.B. (1987) Analysis of cation distribution in dioctahedral micaceous minerals on the basis of IR spectroscopy data. Clay Minerals, 22, 465-478.
    • (1987) Clay Minerals , vol.22 , pp. 465-478
    • Besson, G.1    Drits, V.A.2    Dainyak, L.G.3    Smoliar, B.B.4
  • 3
    • 33749829439 scopus 로고
    • Self-consistent interatomic potentials for the simulation of binary and ternary oxides
    • Bush, T.S., Gale, J.D., Catlow, C.R.A. and Battle, P.D. (1994) Self-consistent interatomic potentials for the simulation of binary and ternary oxides. Journal of Material Chemistry, 4, 831-837.
    • (1994) Journal of Material Chemistry , vol.4 , pp. 831-837
    • Bush, T.S.1    Gale, J.D.2    Catlow, C.R.A.3    Battle, P.D.4
  • 4
    • 0031941261 scopus 로고    scopus 로고
    • Compositional and structural features of the octahedral sheet in mixed-layer illite/smectite from bentonites
    • Cuadros, J. and Altaner, S.P. (1998) Compositional and structural features of the octahedral sheet in mixed-layer illite/smectite from bentonites. European Journal of Mineralogy, 10, 111-124.
    • (1998) European Journal of Mineralogy , vol.10 , pp. 111-124
    • Cuadros, J.1    Altaner, S.P.2
  • 6
    • 0031169048 scopus 로고    scopus 로고
    • Isomorphous cation distribution in celadonites, glauconites and Fe-illites determined by infrared, Mössbauer and EXAFS spectroscopies
    • Drits, V.A., Dainyak, L.G., Muller, F., Besson, G. and Manceau, A. (1997) Isomorphous cation distribution in celadonites, glauconites and Fe-illites determined by infrared, Mössbauer and EXAFS spectroscopies. Clay Minerals, 32, 153-179.
    • (1997) Clay Minerals , vol.32 , pp. 153-179
    • Drits, V.A.1    Dainyak, L.G.2    Muller, F.3    Besson, G.4    Manceau, A.5
  • 7
    • 33748616559 scopus 로고    scopus 로고
    • GULP: A computer program for the symmetry-adapted simulation of solids
    • Gale, J.D. (1997) GULP: a computer program for the symmetry-adapted simulation of solids. Journal of Chemical Society, Faraday Transactions, 93, 629-637.
    • (1997) Journal of Chemical Society, Faraday Transactions , vol.93 , pp. 629-637
    • Gale, J.D.1
  • 8
    • 0003936059 scopus 로고
    • Distribution of Al-Fe-Mg in octahedral sheets of synthetic smectites: Study of three binary solid-solutions
    • Dresden, Germany
    • Grauby, O., Petit, S. and Decarreau, A. (1991) Distribution of Al-Fe-Mg in octahedral sheets of synthetic smectites: Study of three binary solid-solutions. Proceedings of 7th EUROCLAY Conference, Dresden, Germany, pp. 441-446
    • (1991) Proceedings of 7th EUROCLAY Conference , pp. 441-446
    • Grauby, O.1    Petit, S.2    Decarreau, A.3
  • 10
    • 0025235865 scopus 로고
    • Magnetic properties and site occupancy of iron in nontronite
    • Lear, P.R. and Stucki, J.W. (1990) Magnetic properties and site occupancy of iron in nontronite. Clay Minerals, 25, 3-14.
    • (1990) Clay Minerals , vol.25 , pp. 3-14
    • Lear, P.R.1    Stucki, J.W.2
  • 11
    • 0034068591 scopus 로고    scopus 로고
    • Oxidation-reduction mechanism of iron in dioctahedral smectites: I. Crystal chemistry of oxidized reference nontronites
    • Manceau, A., Lanson, B., Drits, V.A., Chateigner, D., Gates, W.P., Wu, J., Huo, D. and Stucki, J. W. (2000a) Oxidation-reduction mechanism of iron in dioctahedral smectites: I. Crystal chemistry of oxidized reference nontronites. American Mineralogist, 85, 133-152.
    • (2000) American Mineralogist , vol.85 , pp. 133-152
    • Manceau, A.1    Lanson, B.2    Drits, V.A.3    Chateigner, D.4    Gates, W.P.5    Wu, J.6    Huo, D.7    Stucki, J.W.8
  • 12
    • 0034022130 scopus 로고    scopus 로고
    • Oxidation-reduction mechanism of iron in dioctahedral smectites, II. Crystal chemistry of reduced Garfield nontronite
    • Manceau, A., Drits, V., Lanson, B., Chateigner, D., Wu, J., Huo, D., Gates, W.P. and Stucki, J. (2000b) Oxidation-reduction mechanism of iron in dioctahedral smectites, II. Crystal chemistry of reduced Garfield nontronite. American Mineralogist, 85, 153-172.
    • (2000) American Mineralogist , vol.85 , pp. 153-172
    • Manceau, A.1    Drits, V.2    Lanson, B.3    Chateigner, D.4    Wu, J.5    Huo, D.6    Gates, W.P.7    Stucki, J.8
  • 15
    • 0842322773 scopus 로고    scopus 로고
    • A computational investigation of the Al/ Fe/Mg order-disorder behavior in the dioctahedral sheet of phyllosilicates
    • Palin, E.J., Dove, M.T., Hernández-Laguna, A. and Sainz-Díaz, C.I. (2004) A computational investigation of the Al/ Fe/Mg order-disorder behavior in the dioctahedral sheet of phyllosilicates. American Mineralogist, 89, 164-175.
    • (2004) American Mineralogist , vol.89 , pp. 164-175
    • Palin, E.J.1    Dove, M.T.2    Hernández-Laguna, A.3    Sainz-Díaz, C.I.4
  • 16
    • 0034850656 scopus 로고    scopus 로고
    • Cation distribution in the octahedral sheet of dioctahedral 2:1 phyllosilicates by using inverse Monte Carlo methods
    • Sainz-Díaz, C.I., Cuadros, J. and Hernández-Laguna, A. (2001a) Cation distribution in the octahedral sheet of dioctahedral 2:1 phyllosilicates by using inverse Monte Carlo methods. Physics and Chemistry of Minerals, 28, 445-454.
    • (2001) Physics and Chemistry of Minerals , vol.28 , pp. 445-454
    • Sainz-Díaz, C.I.1    Cuadros, J.2    Hernández-Laguna, A.3
  • 17
    • 0034915435 scopus 로고    scopus 로고
    • Modelling of dioctahedral 2:1 phyllosilicates by means of transferable empirical potentials
    • Sainz-Díaz, C.I., Hernández-Laguna, A. and Dove, M.T. (2001b) Modelling of dioctahedral 2:1 phyllosilicates by means of transferable empirical potentials. Physics and Chemistry of Minerals, 28, 130-141.
    • (2001) Physics and Chemistry of Minerals , vol.28 , pp. 130-141
    • Sainz-Díaz, C.I.1    Hernández-Laguna, A.2    Dove, M.T.3
  • 18
    • 0041888187 scopus 로고    scopus 로고
    • Octahedral cation ordering of illite and smectite. Theoretical exchange potential determination and Monte Carlo simulations
    • Sainz-Díaz, C.I., Palin, E.J., Hernández-Laguna, A. and Dove, M.T. (2003a) Octahedral cation ordering of illite and smectite. Theoretical exchange potential determination and Monte Carlo simulations. Physics and Chemistry of Minerals, 30, 382-392.
    • (2003) Physics and Chemistry of Minerals , vol.30 , pp. 382-392
    • Sainz-Díaz, C.I.1    Palin, E.J.2    Hernández-Laguna, A.3    Dove, M.T.4
  • 19
    • 0042567519 scopus 로고    scopus 로고
    • Monte Carlo simulations of ordering of Al, Fe, and Mg cations in the octahedral sheet of smectites and illites
    • Sainz-Díaz, C.I., Palin, E.J., Dove, M.T. and Hernández-Laguna, A. (2003b) Monte Carlo simulations of ordering of Al, Fe, and Mg cations in the octahedral sheet of smectites and illites. American Mineralogist, 88, 1033-1045.
    • (2003) American Mineralogist , vol.88 , pp. 1033-1045
    • Sainz-Díaz, C.I.1    Palin, E.J.2    Dove, M.T.3    Hernández-Laguna, A.4
  • 20
    • 0001683694 scopus 로고
    • Bridging hydroxyl groups in zeolitic catalysts: A computer simulation of their structure, vibrational properties and acidity in protonated faujasites (H-Y zeolites)
    • Schröder, K.-P., Sauer, J., Leslie, M., Catlow, C.R.A. and Thomas, J.M. (1992) Bridging hydroxyl groups in zeolitic catalysts: a computer simulation of their structure, vibrational properties and acidity in protonated faujasites (H-Y zeolites). Chemical Physics Letters, 188, 320-325.
    • (1992) Chemical Physics Letters , vol.188 , pp. 320-325
    • Schröder, K.-P.1    Sauer, J.2    Leslie, M.3    Catlow, C.R.A.4    Thomas, J.M.5
  • 21
    • 0027839549 scopus 로고
    • 27Al MAS NMR investigation of Miocene Gulf Coast shales with application to understanding illite-smectite crystal-chemistry
    • 27Al MAS NMR investigation of Miocene Gulf Coast shales with application to understanding illite-smectite crystal-chemistry. Clays and Clay Minerals, 41, 668-679.
    • (1993) Clays and Clay Minerals , vol.41 , pp. 668-679
    • Schroeder, P.A.1
  • 22
    • 0021335069 scopus 로고
    • The distribution of octahedral cations in the 2:1 layers of dioctahedral smectites studied by oblique-texture electron diffraction
    • Tsipursky, S.I. and Drits, V.A. (1984) The distribution of octahedral cations in the 2:1 layers of dioctahedral smectites studied by oblique-texture electron diffraction. Clay Minerals, 19, 177-193.
    • (1984) Clay Minerals , vol.19 , pp. 177-193
    • Tsipursky, S.I.1    Drits, V.A.2
  • 25
    • 0026082244 scopus 로고
    • Static lattice energy minimization and lattice dynamics calculations on aluminosilicate minerals
    • Winkler, B., Dove, M.T. and Leslie, M. (1991) Static lattice energy minimization and lattice dynamics calculations on aluminosilicate minerals. American Mineralogist, 76, 313-331.
    • (1991) American Mineralogist , vol.76 , pp. 313-331
    • Winkler, B.1    Dove, M.T.2    Leslie, M.3
  • 26
    • 0037136181 scopus 로고    scopus 로고
    • Applicability of a quantum mechanical 'virtual crystal approximation' to study Al/Si-disorder
    • Winkler, B., Pickard, C. and Milman, V. (2002) Applicability of a quantum mechanical 'virtual crystal approximation' to study Al/Si-disorder. Chemical Physics Letters, 362, 266-270.
    • (2002) Chemical Physics Letters , vol.362 , pp. 266-270
    • Winkler, B.1    Pickard, C.2    Milman, V.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.