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Full-Text Articles in Earth Sciences

Computational And Experimental Investigations Of Alkali Cation Interactions At The Rutile – Water Interface, Isaac Johnston Dec 2022

Computational And Experimental Investigations Of Alkali Cation Interactions At The Rutile – Water Interface, Isaac Johnston

All Dissertations

Overall, the objective of this dissertation was to investigate the degree of sorption for the alkali cations on rutile to ascertain the impact of different cation properties, such as ion size and charge density, on sorption mechanics as well as probe how the ion may alter the surface – aqueous interface. Initial molecular dynamic simulations and batch experiments showed minimal surface sorption for any alkali cation at relatively low concentrations while simultaneously suggesting the enthalpy of deprotonation shifts slightly in the presence of the alkali cations at different ionic strengths. The cations are likely causing small reorientations of the near-surface …


Pascoite Minerals And Potential Application Of Nmr Spectroscopy, Craig C. Mclauchlan, Beth Trent-Ringer, Debbie C. Crans Jan 2022

Pascoite Minerals And Potential Application Of Nmr Spectroscopy, Craig C. Mclauchlan, Beth Trent-Ringer, Debbie C. Crans

Faculty Publications – Chemistry

The 20 minerals encompassing the pascoite family of decavanadate isopolyanion-containing [V10O28]6− minerals include a few minerals, such as rakovanite, that have been described as containing a protonated decavanadate anion. Rakovanite was originally assigned the formula Na3[H3V10O28]•15H2O and now is redefined with an ideal formula (NH4)3Na3[V10O28]•12H2O. Nuclear magnetic resonance (NMR) and particularly 51V NMR spectroscopy is an informative method used to describe the protonation state and speciation in both solid and solution states …