Browsing by Author "Sahai N."
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Browsing by Author "Sahai N."
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Tossell J.A.; Sahai N. (2000)Ab initio molecular orbital theory was used to calculate deprotonation energies and enthalpies (ΔEd, ΔHd) of oxyacid monomers and oligomers. Results were interpreted with reference to current phenomenological models for ...
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Sahai N. (2004)The existence of ether or ester-like complexes of silicate with organic compounds has long been debated in the literature on biological utilization of silicon. Comparison of theoretically calculated 29Si NMR chemical shifts ...
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Sahai N. (2000)A new expression is developed for estimating the adsorption enthalpy of aqueous, monovalent ions on charged surfaces of solid oxides up to about 70°C. For sorption of the M-th cation and L-th anion represented as: >SO- + ...
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Sahai N.; Sverjensky D.A. (1997)Systematic analysis of surface titration data from the literature has been performed for ten oxides (anatase, hematite, goethite, rutile, amorphous silica, quartz, magnetite, δ-MnO2, corundum, and γ-alumina) in ten ...
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Sahai N.; Tossell J.A. (2001)
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Sahai N.; Sverjensky D.A. (1997)A solvation and electrostatic model has been developed for estimating electrolyte adsorption from physical and chemical properties of the system, consistent with the triple-layer model. The model is calibrated on experimental ...
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Sahai N. (2003)Apatite (Ca 10 [PO 4 ] 6 [OH] 2) precipitation from aqueous solutions involves multiple steps, such as nucleation of a precursor calcium phosphate phase, cluster aggregation, crystal growth, and transformation to apatite, ...
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Sverjensky D.A.; Sahai N. (1998)Surface protonation is the most fundamental adsorption process of geochemical interest. Yet remarkably little is known about protonation of mineral surfaces at temperatures greater than 25°C. Experimentally derived standard ...
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Sverjensky D.A.; Sahai N. (1996)The equilibrium constants for surface protonation of solid oxides and silicates can be estimated from theoretical considerations and known properties of the solids for use in the constant capacitance, diffuse double layer ...
Now showing items 1-9 of 9