Monte Carlo Simulation and Calculation of Electrostatic Energies in the Analysis of Si-Al Distribution in Micas
Carlos P. Herrero, 1985. "Monte Carlo Simulation and Calculation of Electrostatic Energies in the Analysis of Si-Al Distribution in Micas", Proceedings of the International Clay Conference Denver, 1985, Leonard G. Schultz, H. van Olphen, Frederick A. Mumpton
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The Si-Al distribution in the tetrahedral sheet of phyllosilicates having Si:Al ratios near 3:1 has been analyzed by a combination of magic angle spinning-nuclear magnetic resonance spectroscopy, Monte Carlo simulation, and calculations of electrostatic energies. The results of this analysis indicate that Si-Al distribution is mainly controlled by electrostatic requirements of homogeneous dispersion of Al and local balance of interlayer charges. Long- and short-range ordered Si-Al distribution models, complying with the above requirements, differ little in energy, and no evidence for long-range order has been found. In muscovite-2M1, phlogopite-lM, and Llano vermiculite, meta and para dispositions for Al in hexagonal rings of tetrahedral cations occur in a ratio meta: para of about 2:1.
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Proceedings of the International Clay Conference Denver, 1985
The papers included in this proceedings volume are representative of the research on clays being conducted in all parts of the world at the time of publication. Many of the subjects treated are controversial, and although some ideas expressed may not necessarily represent the views of the editors, the referees, or the publisher, they deserve to be brought to the attention of the international clay community.