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Simulations of Interlayer Methanol in Ca- and Na-Saturated Montmorillonites Using Molecular Dynamics
Methanol Molecular Dynamics Montmorillonite
2011/12/5
Abstract: Molecular dynamics computer simulations were used to study methanol molecules confined between the layers of 2:1 phyllosilicates. The model systems are based on natural Ca- and Na-rich montm...
Interlayer structure, anion dynamics, and phase transitions in mixed-metal layered hydroxides: Variable temperature 35Cl NMR spectroscopy of hydrotalcite and Ca-aluminate hydrate (hydrocalumite)
Cl -intercalated hydrotalcite Ca-aluminate hydrate Variable temperature
2012/3/31
The Cl NMR spectroscopy of Cl -intercalated hydrotalcite and the Ca-aluminate hydrate, the presence of
hydrocalumite (Friedel°Os salt) demonstrates dynamical behavior of interlayer C
dynamical orde...
Monte Carlo Simulation of the Total Radial Distribution Function for Interlayer Water in Sodium and Potassium Montmorillonites
Adsorbed Water Montmorillonite Neutron Diffraction Water
2011/12/7
Abstract: Monte Carlo simulations based on tested water-water, cation-water, and water-clay potential functions were applied to calculate radial distribution functions for O-O, O-H and H-H spatial cor...
The Interlayer Structure of La-Vermiculite
8-Coordinated La La-vermiculite Ordered Structure
2011/12/8
Abstract: The structure of the interlayer cation-water system in La-vermiculite with a unit cell of a = 5.33(5), b = 9.18(6), c = 15.13(9) 侌 and 兝 = 96.82(7)亱 has been determined in space group C2/m. ...
Montmorillonite under high H2O pressures: Stability of hydrate phases, rehydration hysteresis, and the effect of interlayer cations
Montmorillonite high H2O pressures Stability hydrate phases rehydration hysteresis effect interlayer cations
2012/4/1
Dehydration of Ca- and Mg-exchanged montmorillonite was studied along H20 iso-
chores in the hydrothermal diamond-anvil cell by in situ X-ray diffraction using a syn-
chrotron radiation source. At-r...
Swelling Pressure of Montmorillonite Layers versus H-O-H Bending Frequency of the Interlayer Water
Bending Frequency Hydration Infrared Spectroscopy Interlayer Force Interlayer Water Montmorillonite Swelling Pressure
2011/12/27
The in-depth perturbation of vicinal water by the surfaces of montmorillonite layers was investigated by relating the swelling pressure, Π, of the montmorillonite layers to the H-O-H bending frequency...
Relation between Interlayer Composition of Authigenic Smectite, Mineral Assemblages, I/S Reaction Rate and Fluid Composition in Silicic Ash of the Nankai Trough
Chemical Controls Glass Alteration Illite/Smectite Interlayer Cations Porewater Composition Precursor Clay Minerals Silicic Ash Smectite
2011/12/27
Abstract: The compositions, fabrics and structures of authigenic minerals that formed recently from silicic volcanic ash layers from a 1300-meter sediment column obtained at ODP Site 808 of the Nankai...
Monte Carlo Simulation of Interlayer Molecular Structure in Swelling Clay Minerals. 2. Monolayer Hydrates
Clay water systems Monte Carlo simulation swelling clays
2011/12/28
Monte Carlo (MC) simulations of interlayer molecular structure in monolayer hydrates of Na-saturated Wyoming-type montmorillonites and vermiculite were performed. Detailed comparison of the stimulatio...
Monte Carlo Simulation of Interlayer Molecular Structure in Swelling Clay Minerals. 1. Methodology
Clay-water systems Monte Carlo simulation Swelling clays
2011/12/28
Monte Carlo (MC) simulations of molecular structure in the interlayers of 2:1 Na-saturated clay minerals were performed to address several important simulation methodological issues. Investigation was...
Interaction between Organic and Inorganic Pollutants in the Clay Interlayer
BET Chloroethenes Chlorohydrocarbons Contaminants Dichloroethylenes FTIR Halohydrocarbons Heavy metals Hectorite Isotherm
2011/12/28
A synergistic mechanism for the retention of organic and inorganic pollutants in clays is discussed in this paper. The mechanism of adsorption of cis- or trans-1,2-dichloroethylene vapor (CDE or TDE, ...
Far-Infrared Study of the Interlayer Torsional-Vibrational Mode of Mixed-Layer Illite/Smectites
Burial diagenesis Far-infrared Illite/smectite Miocene shale Terrebonne Parish Louisiana X-ray diffraction
2011/12/1
Abstract: Investigation of mixed-layer illite/smectites with far-infrared (FIR) spectroscopy indicates the presence of torsional mode absorption bands associated with interlayer fixed-K sites. By cont...
The Interlayer Collapse during Dehydration of Synthetic Na0.7-Beidellite: A 23Na Solid-State Magic-Angle Spinning NMR Study
Beidellite Dehydration Interlayer collapse 23Na MAS-NMR
2011/12/31
The dehydration and migration of the interlayer cation of the synthetic beidellite Na0.7Al4.7Si7.3O20-(OH)4·nH2O, were studied with solid-state 23Na and 27Al MAS-NMR, heating stage XRD, and thermograv...
Bond Energy of Adsorbed and Interlayer Water: Kerolite Dehydration at Elevated Pressures
Bond energy Dehydration High-pressure differential thermal analysis Kerolite Water
2011/12/31
The dehydration reaction of kerolite was investigated using high-pressure differential thermal analysis at pressures as high as 600 bars. The peak associated with the dehydration is broad, suggesting ...
Electronic State of Iron Complexes in the Interlayer of Hydrotalcite-Like Materials
Anion exchange Infrared spectroscopy Hexacyanoferrate Hydrotalcite Intercalation Iron oxidation
2012/1/9
Infrared and Mössbauer spectroscopic studies were made on hydrotalcite-like materials, Mg6Al2(OH)16(NO3)2·4H2O, anion exchanged in aqueous solution of K3Fe(CN)6, K4Fe(CN)6·3H2O, or Na2Fe(CN)5NO·2...
Effects of Octahedral-Iron Reduction and Swelling Pressure on Interlayer Distances in Na-Nontronite
Interlayer distance Iron Nontronite Reduction Swelling pressure X-ray powder diffraction
2012/1/5
A new type of environmental chamber for X-ray diffraction was designed that could sustain elevated, internal pressures of nitrogen or any other gas under oxygen-free conditions and that allowed the po...