Theoretical Study of Kaolinite Structure; Energy Minimization and Crystal Properties

References

[1] R.A. Young, and A.W. Hewat, “Verification of the triclinic crystal structure of kaolinite”. Clays and Clay Minerals, Vol.36, No. 3, 1988, pp. 225-232.

[2] D.L. Bish, and C.T. Johnston, “Rietveld refinement and Fourier transform infrared spectroscopic study of the dickite structure at low temperature”. Clays and Clay Minerals, Vol. 41, No. 31, 1993, pp. 297-304

[3] S. Naamen, H. Ben Rhaiem, M.S. Karmous and A. Ben Haj Amara, “XRD study of the stacking mode of the nacrite/alkali halides complexes”. Zeitschrift fur Kristallographie, Vol. 23, No. 2, 2006, pp. 499-504

[4] M.S. Karmous, J. Samira, J.-L. Robert and A.B.H. Amara, A.B.H. “Nature of disorder in synthetic hectorite”. Applied Clay Science, Vol. 51, No.1-2, 2011, pp. 23-32.

[5] T.Vanorio, M. Prasad and A. Nur, “Elastic properties of dry clay mineral aggregates, suspensions and sandstones”. Geophysical Journal International, Vol. 155, No. 1, 2003, pp. 319-326

[6] K.S. Alexandrov and T.V. Ryzhova, “ Elastic properties of rock-forming minerals II. Layered silicates” () Bulletin. USSR Academy of Science, Geophysics., Vol. 9, 1961, pp. 165-1168.

[7] P.A. Berge and J.G. Berryman, “ Realizability of negative pore compressibility in poroelastic composites”, Journal of Applied Mechanics., Vol. 62, No. 4, 1995, pp. 1053- 1062.

[8] K.W. Katahara, “Clay mineral elastic properties” SEG Annual Meeting Expanded Technical Programme Abstracts. 1996.

[9] Z. Wang, H. Wang and M.E. Cates, “ Effective elastic properties of solid clays” Geophysics, Vol. 66, No. 2, 2001, pp. 428-440.

[10] C.Tosaya and A. Nur “Effects of diagenesis and clays on compressional velocities in rocks”. Geophysical Research Letters, Vol. 9, No. 1, 1982, pp. 5-8.

[11] J.P. Castagna, D.-H Han and M.L. Batzle. “Issues in rock physics and implications for DHI interpretation” The Leading Edge, Vol. 14, 1995, pp. 883-885.

[12] D.H. Han, A. Nur and D. Morgan, “ Effects of porosity and clay content on wave velocities in sandstones”. Geophysics, Vol. 51, No.11, 1986, pp. 2093-2107.

[13] S. Jemai, A. Ben Haj Amara, J. Ben Brahim and A. Plan?on, “Structural study of a 10 ? unstable hydrate of kaolinite”. Journal of Applied Crystallography, Vol. 33, No. 4, 2000, pp. 1075-1081.

[14] B. Militzer, H.-R. Wenk, S. Stackhouse and L.Stixrude 2011. “First-principles calculation of the elastic moduli of sheet silicates and their application to shale anisotropy”. American Mineralogist. Vol. 96, 2011, pp 125-137,

[15] J.D. Gale, “ GULP: A computer program for the symmetry-adapted simulation of solids”. Journal of the Chemical Society - Faraday Transactions, Vol. 93, No. 4, 1997, pp. 629-637.

[16] B.G. Dick and A.W. Overhauser, “ Theory of the Dielectric Constants of Alkali Halide Crystals” Physical Review, Vol. 112, No. 1, 1958, pp. 90-103.

[17] K.-P. Schr?der, J. Sauer, M. Leslie, C. Richard, A. Catlow and J.M. Thomas, “ Bridging hydrodyl groups in zeolitic catalysts: a computer simulation of their structure, vibrational properties and acidity in protonated faujasites (HY zeolites) “Chemical Physics Letters, Vol. 188, No. 3-4, 1992, pp. 320-325.

[18] D.R. Collins and C.R.A Catlow, “Computer simulation of structures and cohesive properties of micas” American Mineralogist, Vol.77, No. 11-12, 1992, pp. 1172-1181.

[19] D.S. Coombes, C.R.A. Catlow and J.M. Garcés, “Computational studies of layered silicates”, Modelling and Simulation in Materials Science and Engineering, Vol. 11, No. 3, 2003, pp. 301-306.

[20] P.H.J. Mercier and Y. Le Page “Kaolin polytypes revisited abinitio”. Acta Crystallographica, B64, 2008, pp. 131-143.

[21] R.B. Neder, M. Burghammer, T.Z. Grasl, H. Schulz, A. Bram and S. Fiedler, “Refinement of the kaolinite structure from single-crystal synchrotron data”. Clays and Clay Minerals, Vol.47, 1999, pp. 487-494.

[22] H. Sato, K. Ono, C.T. Johnston and A Yamagishi, “First-principles studies on elastic constants of a 1:1 layered kaolinite mineral”. American Mineralogist, Vol. 90, 2005, pp. 1824-1826.