Coupling R and PHREEQC: Efficient Programming of Geochemical Models

We present a new interface between the geochemical simulator PHREEQC and the open source language R. It represents a tool to flexibly and efficiently program and automate every aspect of geochemical modelling. The interface helps particularly to setup and run large numbers of simulations and visualise the results. Also profiting of numberless high-quality R extension packages, performing sensitivity analysis or Monte Carlo simulations becomes straightforward. Further, an algorithm to speedup reactive transport simulations starting from homogeneous or zone- homogeneous state is programmed and successfully evaluated through the interface. It proved effective and could therefore be included in any reactive transport simulator.