Origins of Deviations from Transition-State Theory: Formulating a New Kinetic Rate Law for Dissolution of Silicates
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.
- Research Organization:
- Pacific Northwest National Lab., Richland, WA; Rice University, Houston, TX; University of Oklahoma, Norman, OK (US)
- Sponsoring Organization:
- USDOE Office of Environmental Management (EM) (US)
- DOE Contract Number:
- FG07-01ER63287; FG07-01ER63295
- OSTI ID:
- 834824
- Report Number(s):
- EMSP-81908-2002; R&D Project: EMSP 81908; TRN: US200433%%401
- Resource Relation:
- Other Information: PBD: 1 Jun 2002
- Country of Publication:
- United States
- Language:
- English
Similar Records
Origins of Deviations from Transition-State Theory: Formulating a New Kinetic Rate Law for Dissolution of Silicates
Origins of Deviations from Transition-State Theory: Formulating a New Kinetic Rate Law for Dissolution of Silicates