Reactive transport modeling in heterogeneous porous media with dynamic mesh optimization

Abstract

Abstract This paper presents a numerical simulator for solving compositional multiphase flow and reactive transport. The simulator was developed by effectively linking IC-FERST (Imperial College Finite Element Reservoir SimulaTor) with PHREEQCRM. IC-FERST is a next-generation three-dimensional reservoir simulator based on the double control volume finite element method and dynamic unstructured mesh optimization and is developed by the Imperial College London. PHREEQCRM is a state-of-the-art geochemical reaction package and is developed by the United States Geological Survey. We present a step-by-step framework on how the coupling is performed. The coupled code is called IC-FERST-REACT and is capable of simulating complex hydrogeological, biological, chemical, and mechanical processes occurring including processes occur during CO2 geological sequestration, CO2 enhanced oil recovery, and geothermal systems among others. In this paper, we present our preliminary work as well as examples related to CO2 geological sequestration. We performed the model coupling through developing an efficient application programming interface (API). IC-FERST-REACT inherits high-order methods and unstructured meshes with dynamic mesh optimization from IC-FERST. This reduces the computational cost by placing the mesh resolution where and when necessary and it can better capture flow instabilities if they occur. This can have a strong impact on reactive transport simulations which usually suffer from computational cost. From PHREEQCRM the code inherits the ability to efficiently model geochemical reactions. Benchmark examples are used to show the capability of IC-FERST-REACT in solving multiphase flow and reactive transport.