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New insights into organic-mineral particles: composition, properties and models of molecular structure
Analytical pyrolysis Computational chemistry Molecular modelling Soil organic-mineral particles Xenobiotic complexes
2011/11/8
Organic-mineral soil particles are formed and altered as a result of pedogenic processes and anthropogenic impacts on soils. They can be isolated from
bulk soil samples by physical disaggregation fol...
Molecular Structure Effects on Diffusion of Cations in Clays
Clay-modified electrodes Co complexes Diffusion Transport
2011/12/27
Abstract: The roles of molecular structure and charge are examined in the transport of cations within montmorillonite clay films. The series of Ru(NH3)63+, Co(NH3)3+, Co(en)33+, Co(sep)3+ and Co(bpy)3...
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...
Molecular Structure and Binding Sites of Cobalt(II) Surface Complexes on Kaolinite from X-ray Absorption Spectroscopy
Cobalt EXAFS Kaolinite Sorption Surface complex
2011/12/29
X-ray absorption spectroscopy (XAS) was used to determine the local molecular environment of Co(II) surface complexes sorbed on three different kaolinites at ambient temperature and pressure in contac...