> I am an engineer (in a french company) and I am looking for a numerical code able to solve reactive (species diffusion + chemical reactions) Fluid Mechanics equations (integrated over a representative volume) in the case of a porous medium (carbon fiber or something like that) which undergoes a gaseous chemical treatment at low pressure. We do not have any 2-phase transport models, where both the liquid and the gas phase are mobile. However, PHREEQC is a 1D reactive transport model that may useful (https://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc or http://water.usgs.gov/software). PHREEQC can model reactions in either a well mixed reactor, or in 1D transport with a mobile water phase (essentially a series of well mixed reactors). It is possible to model gas/water reactions as either fixed partial pressures or a fixed-volume or fixed-pressure gas phase in equilibrium with the water; however, the gas phase is not mobile, but remains in contact with a specified cell. It is also possible to add the gaseous reactants as a specified reaction, where a specified amount of reactant is added to the reactor. Kinetic reactions are also possible, where the rate of addition (or consumption) of the reactant(s) is specified. > Do you know if that kind of code exist? And can softwares like USGS MODFLOW (or another USGS's software) be used (after a few modifications) to solve that kind of problem? Modflow has no transport capabilities. There is a code MT3D, based on Modflow, that calculates solute transport, but only has very simple reaction capabilities. A 3D reactive transport code based on PHREEQC is available in beta test (version 0.3 should be available shortly, https://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phast), but again the gas phase is subject to the same limitations as PHREEQC, where the gas phase is not mobile. David David Parkhurst (dlpark@xxxxxxxx) U.S. Geological Survey Box 25046, MS 413 Denver Federal Center Denver, CO 80225
Please note that some U.S. Geological Survey (USGS) information accessed through this page may be preliminary in nature and presented prior to final review and approval by the Director of the USGS. This information is provided with the understanding that it is not guaranteed to be correct or complete and conclusions drawn from such information are the sole responsibility of the user.
Any use of trade, product, or firm names in this publication is for descriptive purposes only and does not imply endorsement by the U.S. Government.
The URL of this page is:
Last modified: $Date: 2005-09-13 21:04:21 -0600 (Tue, 13 Sep 2005) $
Visitor number 1959 since Jan 22, 1998.