Multicomponent Reactive Flow and Transport Software

CrunchFlow is a software package for simulating multicomponent multi-dimensional reactive transport in porous media.  The code is written entirely in Fortran 90 , which allows for runtime allocation of memory for arrays, thus minimizing the memory requirements while maximizing the number of options which can be selected at runtime.  Using an automatic read of a thermodynamic and kinetic database, the code can be used for reactive transport problems of arbitrary complexity and size (i.e., there is no a priori restriction on the number of species or reactions considered).

The main features of the code include:

Features now under development include:

The code uses an integrated finite volume approach currently restricted to orthogonal grids.  Advective transport may be simulated with the standard upwind method or with a third order accurate TVD method when using the OS3D runtime option.

Example Problems

Cesium ion exchange in Hanford sediments:  Matching of column and field results using the multicomponent, multi-site ion exchange capability within CRUNCHA 3D simulation of field results, which included 12 component species, 24 aqueous complexes, and 12 ion exchange reactions, took about 1.5 hours to run on a dual processor 933 MHz Pentium III Xeon-based PC.

Copper leaching benchmark problem from PNNL workshop:  A 2D multicomponent benchmark involving copper leaching proposed by P.C. Lichtner (see description on PNNL WEB site) required about 8 minutes on a dual processor 933 MHz Pentium III Xeon-based PC using CRUNCH.


Dzombak D.A. and Morel F.M.M. (1990) Surface Complexation Modeling:  Hydrous Ferric Oxide.  Wiley-Interscience, 393 p.