Subsurface multiphase flow and multicomponent reactive transport modeling using high-performance computing

Subsurface multiphase flow and multicomponent reactive transport modeling using high- performance computing

Numerical modeling is a critical tool to the U.S. Department of Energy for evaluating the environmental impact of remediation strategies for subsurface legacy waste sites. Unfortunately, the physical and chemical complexity of many sites overwhelms the capabilities of even most state of the art groundwater models. Of particular concern is the representation of highly-heterogeneous stratified ro...

An efficient parallel-computing method for modeling nonisothermal multiphase flow and multicomponent transport in porous and fractured media

This paper presents an efficient massively parallel scheme for modeling large-scale multiphase flow, multicomponent transport and heat transfer in porous and fractured reservoirs. The new scheme is implemented into a parallel version of the TOUGH2 code and the numerical performance is tested on a Cray T3E-900 (a distributed-memory parallel computer with 692 processors) and IBM RS/6000 SP (a dis...

Parallelization of MIN3P-THCm: A high performance computational framework for subsurface flow and reactive transport simulation

TOUGHREACT Version 2.0: A simulator for subsurface reactive transport under non-isothermal multiphase flow conditions

TOUGHREACT is a numerical simulation program for chemically reactive nonisothermal flows of multiphase fluids in porous and fractured media, and was developed by introducing reactive chemistry into the multiphase fluid and heat flow simulator TOUGH2 V2. The first version of TOUGHREACT was released to the public through the U.S. Department of Energy’s Energy Science and Technology Software Cente...

Application of Flux Corrected Transport for Multicomponent Reactive Transport Modeling

Reactive transport describes the coupling among flow, transport and chemical reactions occurring in porous media; and therefore it is important in areas such as aquifer remediation, groundwater contamination, geochemical reaction modeling and CO2 sequestration. Due to the large time scales involved and/or the lack of accessibility to the subsurface, in most of these studies an adequate represen...