Origins of Deviations from Transition-State Theory: Formulating a New Kinetic Rate Law for Dissolution of Silicates

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Present models for dissolution of silicate minerals and glasses, based on transition-state theory (TST), overestimate the reaction rate as solution compositions approach saturation with respect to the rate-governing solid. Therefore, the reactivity of key materials in the environment, such as feldspar, mica, and borosilicate glass, is uncertain, and any prediction of future aqueous durability is suspect. The core objective of this investigation is to determine the origin of these discrepancies and to fashion a quantitative model that reliably predicts the reactivity of silicate materials in realistic environmental conditions. This is being accomplished using newly developed experimental techniques checked against computer ... continued below

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Icenhower, Jonathan; McGrail, B. P.; Luttge, A. & London, D. June 1, 2002.

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Present models for dissolution of silicate minerals and glasses, based on transition-state theory (TST), overestimate the reaction rate as solution compositions approach saturation with respect to the rate-governing solid. Therefore, the reactivity of key materials in the environment, such as feldspar, mica, and borosilicate glass, is uncertain, and any prediction of future aqueous durability is suspect. The core objective of this investigation is to determine the origin of these discrepancies and to fashion a quantitative model that reliably predicts the reactivity of silicate materials in realistic environmental conditions. This is being accomplished using newly developed experimental techniques checked against computer simulations based upon first principle theory.

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  • Other Information: PBD: 1 Jun 2002

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  • Report No.: EMSP-81908-2002
  • Grant Number: FG07-01ER63287
  • Grant Number: FG07-01ER63295
  • DOI: 10.2172/834824 | External Link
  • Office of Scientific & Technical Information Report Number: 834824
  • Archival Resource Key: ark:/67531/metadc777310

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  • June 1, 2002

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  • Dec. 3, 2015, 9:30 a.m.

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  • April 21, 2016, 6:45 p.m.

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Icenhower, Jonathan; McGrail, B. P.; Luttge, A. & London, D. Origins of Deviations from Transition-State Theory: Formulating a New Kinetic Rate Law for Dissolution of Silicates, report, June 1, 2002; United States. (digital.library.unt.edu/ark:/67531/metadc777310/: accessed August 22, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.