PetraSim supports the following models:
TOUGH is a general-purpose numerical simulation program for multi-phase fluid and heat flow in porous and fractured media. It offers the flexibility to handle different fluid mixtures, the properties of which are described in separate Equation-of-State (EOS) modules. TOUGH is developed in the Earth Sciences Division of Lawrence Berkeley National Laboratory for applications in geothermal reservoir engineering, nuclear waste disposal, CO2 disposal and unsaturated zone hydrology. PetraSim is installed with TOUGH2 executables that are optimized to work with PetraSim, licensed through a contract with the US DOE. TOUGH3, which was officially released in January of 2018, is not included with PetraSim. However, PetraSim creates input files compatible with TOUGH3 and can also visualize CSV output from TOUGH3 simulations.
T2VOC is a TOUGH2 module for 3-phase flow of water, air, and a volatile organic compound (VOC). T2VOC was designed to simulate processes such as the migration of hazardous non-aqueous phase liquids (NAPLs) in variably saturated media, forced vacuum extraction of organic chemical vapors from the unsaturated zone (soil vapor extraction), evaporation and diffusion of chemical vapors in the unsaturated zone, air injection into the saturated zone for removal of volatile organics (air sparging), direct pumping of contaminated water and free product, and steam injection for the removal of NAPLs from contaminated soils and aquifers.
TMVOC is a numerical simulator for three-phase non-isothermal flow of water, soil gas, and a multicomponent mixture of volatile organic chemicals (VOCs) in multidimensional heterogeneous porous media. It is an extension of the TOUGH2 general-purpose simulation program developed at the Lawrence Berkeley National Laboratory. TMVOC is designed for applications to contamination problems that involve hydrocarbon fuel or organic solvent spills in saturated and unsaturated zones. It can model contaminant behavior under “natural” environmental conditions, as well as for engineered systems, such as soil vapor extraction, groundwater pumping, or steam-assisted source remediation.
TOUGHREACT is an extension of TOUGH2 that couples chemical reactions to fluid flow. Coupled modeling of subsurface multiphase fluid and heat flow, solute transport, and chemical reactions can be used for assessment of waste disposal sites, acid mine drainage remediation, contaminant transport, groundwater quality, CO2 sequestration, and mineral alteration in geothermal systems. TOUGHREACT can be applied to porous and fractured media with physical and chemical heterogeneity. The model can accommodate any number of chemical species present in liquid, gas, and solid phases. A variety of equilibrium chemical reactions are considered, such as aqueous complexation, gas dissolution/exsolution, and cation exchange. Mineral dissolution/precipitation can proceed either, subject to local equilibrium or kinetic conditions. Changes in porosity and permeability due to mineral dissolution and precipitation can be considered. PetraSim is installed with TOUGHREACT v1.2 executables that were optimized to work with PetraSim, licensed through a contract with the US DOE. PetraSim includes limited support for TOUGHREACT v3.32, including input file creation and 2D and 3D display of cell-based data. Note that PetraSim currently supports the following EOS modules within TOUGHREACT v3.32: EOS1, EOS2, EOS3, EOS4, EOS7, EOS9 and ECO2N.