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Deuterium Isotope Effects for Inorganic Oxyacids at Elevated Temperatures Using Raman Spectroscopy

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dc.contributor.advisor Tremaine, Peter Yacyshyn, Michael 2013-08-22T15:01:40Z 2014-08-12T05:00:16Z 2013-08 2013-08-12 2013-08-22
dc.description Raman spectroscopy was used to measure the small differences in ionization constants for weak acids/bases as a function of temperature. en_US
dc.description.abstract Polarized Raman spectroscopy has been used to measure the deuterium isotope effect, (delta)pK = pKD2O – pKH2O, for the second ionization constant of sulfuric acid in the temperature range of 25 °C to 200 °C at saturation pressure. Results for pK in light water agree with the literature within ± 0.034 pK units at alltemperatures under study, confirming the reliability of the method. The ionization constant of deuterated bisulfate, DSO4-, differs significantly from previous literature results at elevated temperatures. This results in an almost constant (delta)pK ≈ 0.425 ± 0.076 over the temperature range under study. Differences in (delta)pK values between the literature and current results can be attributed to the effect of dissolved silica from cell components. The new results are consistent with (delta)pK models that treat the temperature dependence of (delta)pK by considering differences in the zero-point energy of hydrogen bonds in the hydrated product and reactant species. The phosphate hydrolysis equilibrium was measured between the temperatures of 5 °C and 80 °C and the borate/boric acid equilibrium between the temperatures of 25 °C and 200 °C. The high alkalinity and temperatures experienced by these two systems had a significant impact on the glass dissolution and equilibrium. en_US
dc.description.sponsorship University of Guelph, Atomic Energy of Canada Limited (AECL), Bruce Power, University Network of Excellence in Nuclear Engineering (UNENE), National Sciences and Engineering Research Council of Canada (NSERC), Natural Resources Canada, Ontario Power Generation (OPG), Canada Foundation for Innovation en_US
dc.language.iso en en_US
dc.subject hydrothermal en_US
dc.subject deuterium isotope effects en_US
dc.subject ionization en_US
dc.subject bisulfate en_US
dc.subject Raman en_US
dc.subject quartz en_US
dc.subject pyrex en_US
dc.subject oxyacids en_US
dc.subject isotropic en_US
dc.subject pKa en_US
dc.subject sulfuric acid en_US
dc.subject elevated temperatures en_US
dc.title Deuterium Isotope Effects for Inorganic Oxyacids at Elevated Temperatures Using Raman Spectroscopy en_US
dc.type Thesis en_US Chemistry en_US Master of Science en_US Department of Chemistry en_US
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