A knowledge-based reactive transport approach for the simulation of biogeochemical dynamics in Earth systems

[1] A Knowledge-Based Reactive Transport Model (KB-RTM) for simulation of coupled transport and biogeochemical transformations in surface and subsurface flow environments is presented (http:// www.geo.uu.nl/similar to kbrtm). The scalable Web-distributed Knowledge Base (KB), which combines Information Technology ( IT), an automatic code generator, and database management, facilitates the automated construction of complex reaction networks from comprehensive information stored at the level of biogeochemical processes. The reaction-centric approach of the KB-RTM system offers full flexibility in the choice of model components and biogeochemical reactions. The procedure coupling the reaction networks to a generalized transport module into RTMs is also presented. The workings of our KB-RTM simulation environment are illustrated by means of two examples of redox and acid-base chemistry in a typical shelf sediment and an aquifer contaminated by landfill plumes.