Flexible reactive transport modeling environment

Reactive transport models
Many different applications of reactive transport models are based on similar sets of governing equations, as they are typically based on mass conservation:
(1)
where F indicates fluxes of C across the surface S and H source and sink terms within the volume V. Eq. 1 can be reformulated into a system of coupled partial differential equations (PDEs), one for each chemical constituent of interest. With fluxes driven by advection and diffusion and R representing reactions, many RTMs solve
(2)
where D, n and v are diffusion coefficient, porosity and advection velocity, respectively. As the reaction network can vary extensively between applications, it is specified symbolically within MAPLE spreadsheets and then combined with numeric FORTRAN algorithms.

Parameterization
A key issue in modeling is not only to set up and solve the governing equations, but to relate the model to the data in an objective way. To that purpose, we employ both local and global optimization algorithms. For a more detailed description and a web-based user interface see the RTM site at Utrecht University.