Abstract
TOUGHREACT V4.12 is a 3-D reactive transport code that handles to non-isothermal, multiphase/multicomponent fluid flow, heat transport, aqueous and gaseous species advection-diffusion, and equilibrium/kinetic water-gas-rock-biological reactions.
TOUGHREACT V4.12 is based on TOUGHREACT V3.3, with several new features including: an option to compute activity coefficients using the Pitzer ion interaction model; implementation of ECO2N V2.0 for temperatures up to 300 C; options to simulate forward and reverse osmosis, including 2D Poiseuille flow; addition of EOS8 and revisions for EOS5 and EWASG with H2(g); addition of gas species decay, various new output formats and time step control options; many bug fixes.
- Developers:
-
Spycher, Nicolas [1] ; Sonnenthal, Eric [1]
- Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Release Date:
- 2021-08-23
- Project Type:
- Closed Source
- Software Type:
- Scientific
- Licenses:
-
Other (Commercial or Open-Source): https://ipo.lbl.gov/marketplace
- Sponsoring Org.:
-
USDOEPrimary Award/Contract Number:AC02-05CH11231
- Code ID:
- 141879
- Site Accession Number:
- 2021-151
- Research Org.:
- Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Country of Origin:
- United States
Citation Formats
Spycher, Nicolas, and Sonnenthal, Eric.
TOUGHREACT V4.12.
Computer Software.
USDOE.
23 Aug. 2021.
Web.
doi:10.11578/dc.20240830.2.
Spycher, Nicolas, & Sonnenthal, Eric.
(2021, August 23).
TOUGHREACT V4.12.
[Computer software].
https://doi.org/10.11578/dc.20240830.2.
Spycher, Nicolas, and Sonnenthal, Eric.
"TOUGHREACT V4.12." Computer software.
August 23, 2021.
https://doi.org/10.11578/dc.20240830.2.
@misc{
doecode_141879,
title = {TOUGHREACT V4.12},
author = {Spycher, Nicolas and Sonnenthal, Eric},
abstractNote = {TOUGHREACT V4.12 is a 3-D reactive transport code that handles to non-isothermal, multiphase/multicomponent fluid flow, heat transport, aqueous and gaseous species advection-diffusion, and equilibrium/kinetic water-gas-rock-biological reactions.
TOUGHREACT V4.12 is based on TOUGHREACT V3.3, with several new features including: an option to compute activity coefficients using the Pitzer ion interaction model; implementation of ECO2N V2.0 for temperatures up to 300 C; options to simulate forward and reverse osmosis, including 2D Poiseuille flow; addition of EOS8 and revisions for EOS5 and EWASG with H2(g); addition of gas species decay, various new output formats and time step control options; many bug fixes.},
doi = {10.11578/dc.20240830.2},
url = {https://doi.org/10.11578/dc.20240830.2},
howpublished = {[Computer Software] \url{https://doi.org/10.11578/dc.20240830.2}},
year = {2021},
month = {aug}
}