A Brief Overview of Reactive Transport Codes Used in CO2 Applications
- National Energy Technology Lab. (NETL), Albany, OR (United States); NETL Support Contractor, Albany, OR (United States)
- National Energy Technology Lab. (NETL), Pittsburgh, PA (United States)
Reactive transport modelling consists of computational and numerical models that describe the coupled physical, chemical, mechanical, and biological processes interacting with each other over a broad range of spatial and temporal scales. This report reviews some of the reactive transport codes available in the literature for carbon dioxide (CO2) applications and can assist the scientific community with the applicability of each code to solve a specific problem. Approaches implemented in these codes can be categorized in three groups: (i) continuum-scale, (ii) pore-scale, and (iii) hybrid-scale approaches. Theoretical foundations, numerical implementations, and application examples using the models are described. In the continuum approach, flow and transport are formulated in terms of a representative control volume of the medium and coupled with geochemical reactions. The medium is characterized by bulk parameters such as porosity, permeability, or reactive surface area. In the pore-scale approach, each point of space in the pore network is occupied by either a fluid or solid phase. The pore-scale approach requires an exact knowledge of the spatial and temporal phase distribution. In the hybrid-scale approach, media are described by multiple characteristic length-scales, with some regions using a pore-scale approach while others used a continuum approach.
- Research Organization:
- National Energy Technology Laboratory (NETL), Pittsburgh, PA, Morgantown, WV, and Albany, OR (United States)
- Sponsoring Organization:
- USDOE Office of Fossil Energy (FE), Clean Coal and Carbon Management
- DOE Contract Number:
- 89243318CFE000003
- OSTI ID:
- 1886680
- Report Number(s):
- DOE/NETL-2022/3733
- Country of Publication:
- United States
- Language:
- English
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