Abstract
A detailed step-by-step algorithm is presented through which we integrate IPhreeqc of the United Stated Geological Survey (USGS) state-of-the-art geochemical package with UTCHEM for comprehensive reactive-transport modeling. UTCHEM is 3D multi-phase flow and transport research simulator developed in The University of Texas at Austin. On the other hand, IPhreeqc is the open-source modules of the USGS state-of-the-art geochemical package, PHREEQC. Through this coupling, we are able to simulate homogeneous and heterogeneous, irreversible, and ion-exchange and surface reactions under non-isothermal, non-isobaric and both local-equilibrium and kinetic conditions. All the data communications between UTCHEM and IPhreeqc is performed through the computer memory without writing/reading files. We further parallelize the geochemistry module of UTCHEM–IPhreeqc in order to conduct field scale reservoir simulations. Our proposed coupling procedure can be implemented in any existing reservoir simulator for comprehensive reactive-transport modeling. One realistic case study is presented using UTCHEM–IPhreeqc.
Published Version
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