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Transition State Theory and Molecular Orbital Calculations Applied to Rates and Reaction Mechanisms in Geochemical Kinetics

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Kinetics of Water-Rock Interaction

For much of the history of geochemistry, thermodynamics has dominated discussions on geological processes. Geologic time is so long that systems were generally thought to reach equilibrium, so only knowledge of the reactants and products were considered important. As an emphasis on lower temperature processes and environment geochemistry has increased, the need to understand reaction rates has become more obvious. As geochemists have become more aware of the role of kinetics, disequilibrium has been found to be common. Even in mantle rocks where high temperatures and long equilibration times are the norm, disequilibrium has been observed (Bell and Ihinger, 2000).

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  1. Department of Geosciences and the Earth & Environmental Systems Institute, The Pennsylvania State University, USA

    James D. Kubicki

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  1. Earth and Environmental Systems Institute, The Pennsylvania State University, 2217 Earth-Engineering Science Building, University Park, PA, 16802, USA

    Susan L. Brantley

  2. Department of Geosciences and the Earth and Environmental Systems Institute, The Pennsylvania State University, 335 Deike Building, University Park, PA, 16802, USA

    James D. Kubicki

  3. U.S. Geological Survey, MS 420, 345 Middlefield Rd., Menlo Park, CA, 94025, USA

    Art F. White

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Kubicki, J. (2008). Transition State Theory and Molecular Orbital Calculations Applied to Rates and Reaction Mechanisms in Geochemical Kinetics. In: Brantley, S., Kubicki, J., White, A. (eds) Kinetics of Water-Rock Interaction. Springer, New York, NY. https://doi.org/10.1007/978-0-387-73563-4_2

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