『Abstract
Reactive transport modeling is an essential tool for the analysis
of coupled physical, chemical;, and biological processes in Earth
systems, and has additional potential to better integrate the
results from focused fundamental research on Earth materials.
Appropriately designed models can describe the interactions of
competing processes at a range of spatial and time scales, and
hence are critical for connecting the advancing capabilities for
materials characterization at the atomic scale with the macroscopic
behavior of complex Earth systems. Reactive transport modeling
has had a significant impact on the treatment of contaminant retardation
in the subsurface, the description of elemental and nutrient fluxes
between major Earth reservoirs, and in treatment of deep Earth
processes such as metamorphism and magma transport. Active topics
of research include the development of pore scale and hybrid,
or multiple continua, models to capture the scale dependence of
coupled reactive transport processes. Frontier research questions,
that are only now being addressed, include the effects of chemical
microenvironments, coupled thermal-mechanical-chemical processes,
controls on mineral-fluid reaction rates in natural media, and
scaling of reactive transport processes from the microscopic to
pore to field scale.
Keywords: reactive transport; water-rock interaction; contaminant
transport; magma transport; coupled processes』
1. Introduction
2. Historical development of reactive transport modeling
3. Current status of reactive transport modeling
3.1. Coupled processes in reactive transport
3.2. Spatial scales in reactive transport modeling
3.2.1. Continuum models
3.2.2. Pore-scale models
3.2.3. Multiple continuum or hybrid models
4. Has reactive transport modeling had an impact?
4.1. Migration of contaminants in the subsurface
4.2. Improving estimates of elemental and nutrient fluxes
4.3. Magma transport in the Earth
5. New challenges and directions
5.1. Chemical microenvironments
5.2. Coupled mechanical-chemical systems
5.3. Comparing reaction rates in laboratory and field systems
5.4. Upscaling reactive transport
6. The future
Acknowledgements
References