Numerical modeling of stable isotope fractionation and multiphase reactive transport of water and water vapor using TOUGHREACT
Variations in the ratios of stable isotopes (i.e., {sup 18}O/{sup 16}O and {sup 2}H/H) in water and water vapor can yield important constraints on vadose zone hydrological processes such as infiltration, evapotranspiration, mixing and recharge. In order to quantitatively model the behavior of stable isotopes in simulations of unsaturated flow, we implemented the temperature-dependent equilibration of stable isotopic species between water and water vapor, and their differing diffusive transport properties into the thermodynamic database of the reactive transport code TOUGHREACT (Xu and Pruess, 2001). This allows for the development of physical models, which describe stable isotope fractionation in tandem with multiphase flow, heat transport, mineral-water-gas reactions, and the transport of any number of gaseous and aqueous species.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Director, Office of Science; Industry (US)
- DOE Contract Number:
- AC03-76SF00098
- OSTI ID:
- 820664
- Report Number(s):
- LBNL-54066; R&D Project: 465103; TRN: US200405%%72
- Resource Relation:
- Conference: TOUGH Symposium, Berkeley, CA (US), 05/12/2003--05/14/2003; Other Information: PBD: 2 Jan 2003
- Country of Publication:
- United States
- Language:
- English
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