Reactive transport modeling in heterogeneous porous media with dynamic mesh optimization
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ORIGINAL PAPER
Reactive transport modeling in heterogeneous porous media with dynamic mesh optimization A. Yekta1 · P. Salinas2 · S. Hajirezaie3 · M. A. Amooie4 · C. C. Pain2 · M. D. Jackson2 · C. Jacquemyn2 · M. R. Soltanian1,5 Received: 16 July 2019 / Accepted: 29 September 2020 © Springer Nature Switzerland AG 2020
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 highorder 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. Keywords Modeling · Multiphase flow · Reactive transport · IC-FERST · PHREEQCRM · Dynamic mesh optimization
1 Introduction Chemical and biological reactions play a significant role in various subsurface flow and mass transport problems. P. Salinas
[email protected] 1
Department of Geology, University of Cincinnati, Cincinnati, OH, USA
2
Department of Earth Science and Engineering, Novel Reservoir Modelling and Simulation Group, Imperial College London, London, UK
3
Bureau of Economic Geology, Jackson School of Geosciences, University of Texas, Austin, TX, USA
4
Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA, USA
5
Department of Environmental Engineering, University of Cincinnati, Cincinnati, OH, USA
Reactions can affect fluid phase properties and can also change subsurface petrophysical (e.g., permeability, porosity) and geochemical attributes (e.g., surface area of minerals). The importance as well as the difficulty to properly model chem
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