Fluid-Rock Interaction Models: Code Release and Results

Numerical models our group has developed for understanding the role of kinetic processes during fluid-rock interaction will be released free to the public. We will also present results that highlight the importance of kinetic processes. The author is preparing manuals describing the numerical methods used, as well as "how-to" guides for using the models. The release will include input files, full in-line code documentation of the FORTRAN source code, and instructions for use of model output for visualization and analysis. The aqueous phase (weathering) and supercritical (mixed-volatile metamorphic) fluid flow and reaction models for porous media will be released separately. These codes will be useful as teaching and research tools. The codes may be run on current generation personal computers. Although other codes are available for attacking some of the problems we address, unique aspects of our codes include sub-grid-scale grain models to track grain size changes, as well as dynamic porosity and permeability. Also, as the flow field can change significantly over the course of the simulation, efficient solution methods have been developed for the repeated solution of Poisson-type equations that arise from Darcy's law. These include sparse-matrix methods as well as the even more efficient spectral-transform technique. Results will be presented for kinetic control of reaction pathways and for heterogeneous media. Codes and documentation for modeling intra-grain diffusion of trace elements and isotopes, and exchange of these between grains and moving fluids will also be released. The unique aspect of this model is that it includes concurrent diffusion and grain growth or dissolution for multiple mineral types (low-diffusion regridding has been developed to deal with the moving-boundary problem at the fluid/mineral interface). Results for finite diffusion rates will be compared to batch and fractional melting models. Additional code and documentation will be released for modeling diffusion and consumption of oxygen by ancient organic matter and pyrite in an eroding shale soil, as relevant for understanding an important boundary condition for the long-term evolution of Earth's atmosphere. Results indicate that ancient organic matter is normally oxidized before eroding except for rapid erosion rates. The source codes can be readily modified for use in other reactive-transport models or for individual use.