PEaCH4 v. 2.0 provides a modelling platform to predict, but also to retrace early diagenetic processes in marine sediments. The modelling tool is the PHREEQC computer code that is applied to calculate chemical equilibrium species distribution among aqueous solutions, minerals and gases. This is combined with one-dimensional diffusion-driven transport and the irreversible redox-conversion of metabolizable organic matter. PHREEQC is coupled to an excel© platform of PEaCH4 v. 2.0. The main task of PEaCH4 v. 2.0 is to predict quantitatively the formation of biogenic methane, the fraction of other gases (CO2, N2, H2S) within the multi-component gas, and the amount of precipitated diagenetic minerals. PEaCH4 v. 2.0 describes a growing sediment column. The model describes a reactor that is filled by one liter of defined sea water and sediments of a defined mineral composition and porosity at the first time step. The driving force for the formation of diagentic products in PEaCH4 v. 2.0 is the irreversible redox-conversion of metabolizable organic matter. The kind (marine or terrestrial) of the converted organic matter can be defined. Reaction kinetics of organic carbon conversion is integrated into the set of equilibrium reactions by the amount of converted organic carbon in each time step.
PEaCH4 v. 2.0 is one major development in the BioMeP-2 project.