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WP5 – deliverable No. 1: Transport/ reaction models reg. methane and sulphur dynamics

José Mogollón and Pierre Regnier

Models of methane and sulfur dynamics

The modeling performed at Utrecht University, and used in the Baltic Gas project, is based on the Biogeochemical Reaction Network Simulator (BRNS) (Regnier et al., 2003), a model which is able to couple a large array of user-defined geochemical reactions to transport processes which affect aqueous and/or solid species (for a detailed example on the equations involved in reactive transport models, click here see model_development.pdf).

A version of this BRNS, which uses previously-described reaction networks, is available online (http://rtmlab.net/index.php?page=model) through the knowledge base project (KB-BRNS, Aguilera et al., 2005). Here, the user can access the model and define which chemical species, reactions, transport processes, and spatiotemporal domain is to be used. Although the model can be adapted to variable boundary conditions, grids, and highly-complex reaction equations, these features require additional manipulation of the model code which can be performed by the scientists involved in the project. The parameterization process, available reactions and model-setup framework can be observed by logging into the Demo version of the KB-BRNS. An example for the dynamics of organic matter, sulfate and methane is provided by loading BalticGas_simpleexample. For further questions regarding the model, including how to run the simulations and how to obtain full access, please contact José Mogollón mogollon@geo.uu.nl, or Pierre Regnier: pregnier@ulb.ac.be.

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Revised 2012.01.03