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Nature of Structural Disorder in Natural Kaolinites: A New Model Based on Computer Simulation of Powder Diffraction Data and Electrostatic Energy Calculation
Energy calculation Kaolinite Layer disorder XRPD simulation
2011/12/28
A new model for the description of the structural disorder in natural kaolinite materials is proposed, based on the stacking of two 1:1 layers and their enantiomorphs, and encompassing previously prop...
Electrostatic Potential at the Basal (001) Surface of Talc and Pyrophyllite as Related to Tetrahedral Sheet Distortions
Basal oxygen sheet Electrostatic potential Pyrophyllite Talc Tetrahedral sheet distortion
2012/1/5
Maps of the electrostatic potentials at the basal plane of talc and pyrophyllite, computed using a two-dimensional Ewald lattice-sum, reveal the effects caused by structural distortion of the phyllosi...
Extended Version of Gouy-Chapman Electrostatic Theory as Applied to the Exchange Behavior of Clay in Natural Waters
Electrolyte Gouy-Chapman theory Ion exchange Kaolinite Smectite Water
2012/2/7
A model based on Gouy-Chapman theory, describing the ion exchange behavior of clays in mixed electrolyte solutions is presented. Computed ionic distributions, taking into account variations in relativ...
Calculation of Electrostatic Interlayer Bonding Energy and Lattice Energy of Polar Phyllosilicates: Kaolinite and Chlorite
Chlorite Electrostatic energy Interlayer bonding Kaolinite Lattice energy
2012/2/6
The electrostatic lattice energy of polar phyllosilicates can be calculated when a correction term Ecorr equal to −2鸬2/V is taken into account, where ?is the dipole moment of a slice d(001) and ...
Comparison of Orientations of OH-Bonds in Layer Silicates by Diffraction Methods and Electrostatic Calculations
Chlorite Dickite Electrostatic calculations Hydroxyl vectors Mica X-ray diffraction
2012/2/8
Orientations of OH-vectors in structural hydroxyl groups of layer silicates were defined both from diffraction data and calculations of electrostatic energy. The comparison of the results showed that ...
The Electrostatic Interlayer Forces of Layer Structure Minerals
Bonding Charge Energy Expansion Interlayer
2011/11/18
Abstract: Using a simple ionic model, the energy necessary to expand a layer structure by a certain distance can be calculated. This has been done for a series of 15 structures including hydroxides, 2...