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

Incorporation of Aqueous and Sorption Kinetics and Biodegradation into Toughreact

The needs for considering aqueous and sorption kinetics and microbiological processes arises in many subsurface problems, such as environmental and acid mine remediation. A general rate expression has been implemented into TOUGHREACT, which considers multiple mechanisms (pathways) and includes multiple product, Monod, and inhibition terms. In this paper, the formulation for incorporating kineti...

Implementation of a Pitzer Activity Model into Toughreact for Modeling Concentrated Solutions

TOUGHREACT (Xu et al., 2006) is a generalpurpose reactive geochemical transport numerical simulator. It deals with multiphase flow, solute transport and geochemical reactions including aqueous complexation, mineral dissolution/ precipitation and cation exchange. Making use of an extended Debye-Hückel ion activity model, this simulator can handle solutions concentrated to slightly above ~1 molal...

Reducing Cost and Environmental Impact of Geothermal Power through Modeling of Chemical Processes in the Reservoir

Geothermal power generation and mineral extraction from geothermal brines are affected by chemical processes within the reservoir. Until recently, numerical simulation technology for geothermal systems could not handle most chemical processes, except for tracking total salinity, one or two noncondensable gases, and non-reactive tracers. The Lawrence Berkeley National Laboratory (LBNL) has devel...

An approach for modeling geothermal reservoir behavior using the reactive transport simulator TOUGHREACT

LDRD Final Report: Physical Simulation of Nonisothermal Multiphase Multicomponent Flow in Porous Media

This document reports on the accomplishments of a laboratory-directed research and development (LDRD) project whose objective was to initiate a research program for developing a fundamental understanding of multiphase multicomponent subsurface transport in heterogeneous porous media and to develop parallel processing computational tools for numerical simulation of such problems. The main achiev...