Output Files from Reactive Transport Models in Benjakul et al. (2020)

This repository includes the output files (in Tecplot format) of the numerical models in the paper entitled "Understanding controls on hydrothermal dolomitisation: insights from 3D Reactive Transport Modelling of geothermal convection".

<table style="border-collapse:collapse;border-spacing:0" class="tg"><thead><tr><th style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;font-weight:normal;overflow:hidden;padding:10px 5px;text-align:center;vertical-align:top;word-break:normal">Simulation </th><th style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;font-weight:normal;overflow:hidden;padding:10px 5px;text-align:center;vertical-align:top;word-break:normal">Folder</th><th style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;font-weight:normal;overflow:hidden;padding:10px 5px;text-align:center;vertical-align:top;word-break:normal">Model description</th><th style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;font-weight:normal;overflow:hidden;padding:10px 5px;text-align:center;vertical-align:top;word-break:normal">Figure</th><th style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;font-weight:normal;overflow:hidden;padding:10px 5px;text-align:center;vertical-align:top;word-break:normal">Flow dataA</th><th style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;font-weight:normal;overflow:hidden;padding:10px 5px;text-align:center;vertical-align:top;word-break:normal">Flow vectorB</th><th style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;font-weight:normal;overflow:hidden;padding:10px 5px;text-align:center;vertical-align:top;word-break:normal">MineralC</th><th style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;font-weight:normal;overflow:hidden;padding:10px 5px;text-align:center;vertical-align:top;word-break:normal">AqconcD</th><th style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;font-weight:normal;overflow:hidden;padding:10px 5px;text-align:center;vertical-align:top;word-break:normal">SIE</th></tr></thead><tbody><tr><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:center;vertical-align:top;word-break:normal">1</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">2D_Fault_perpendicular</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Fault-perpendicular 2D model</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:center;vertical-align:top;word-break:normal">2</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M1_flow</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M1_vector</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M1_mineral</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M1_aqconc</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M1_SI</td></tr><tr><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:center;vertical-align:top;word-break:normal">2</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">2D_Fault_parallel</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Fault-parallel 2D model</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:center;vertical-align:top;word-break:normal">2</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M2_flow</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M2_vector</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M2_mineral</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M2_aqconc</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M2_SI</td></tr><tr><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:center;vertical-align:top;word-break:normal">3</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">3D_Baseline</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">3D baseline model</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:center;vertical-align:top;word-break:normal">3</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M3_flow</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M3_vector</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M3_mineral</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M3_aqconc</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M3_SI</td></tr><tr><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:center;vertical-align:top;word-break:normal">4</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">3D_Baseline-nopkfb</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">3D baseline model with no poro-perm feedback</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:center;vertical-align:top;word-break:normal">7a</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M4_flow</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M4_vector</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M4_mineral</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M4_aqconc</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M4_SI</td></tr><tr><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:center;vertical-align:top;word-break:normal">5</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">3D_0.5k_base</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">50 % lower-permeability basement</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:center;vertical-align:top;word-break:normal">8b</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M5_flow</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M5_vector</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M5_mineral</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M5_aqconc</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M5_SI</td></tr><tr><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:center;vertical-align:top;word-break:normal">6</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">3D_0.1k_base</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">90 % lower-permeability basement</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:center;vertical-align:top;word-break:normal">8c</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M6_flow</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M6_vector</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M6_mineral</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M6_aqconc</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M6_SI</td></tr><tr><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:center;vertical-align:top;word-break:normal">7</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">3D_200C_base</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">lower basement temperature</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:center;vertical-align:top;word-break:normal">8d</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M7_flow</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M7_vector</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M7_mineral</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M7_aqconc</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M7_SI</td></tr><tr><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:center;vertical-align:top;word-break:normal">8</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">3D_0.5k_cap</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">50% lower-permeability caprock</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:center;vertical-align:top;word-break:normal">10b</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M8_flow</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M8_vector</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M8_mineral</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M8_aqconc</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M8_SI</td></tr><tr><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:center;vertical-align:top;word-break:normal">9</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">3D_0.1k_cap</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">90% lower-permeability caprock</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:center;vertical-align:top;word-break:normal">10c</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M9_flow</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M9_vector</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M9_mineral</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M9_aqconc</td><td style="border-color:inherit;border-style:solid;border-width:1px;font-family:Arial, sans-serif;font-size:14px;overflow:hidden;padding:10px 5px;text-align:left;vertical-align:top;word-break:normal">Benjakuletal2020_M9_SI</td></tr></tbody></table>

Remark:
A - Flow data contains times, grid point coordinates (m), Pressure (Pa), temperature (°C), phase saturation, density (kg/m³), porosity, permeability (m²), rock grain heat capacities (J/kg/°C), and bulk rock thermal conductivities (W/m/°C) at all grid blocks.

B - Flow vector contains times, grid block coordinates (m), mass and heat fluxes, velocities, and their vector components and magnitudes at all grid blocks.

C - Mineral contains times, grid point coordinates (m), temperature (°C), mineral abundances (or abundance changes), and exchanged species concentrations at all grid blocks.

D - Aqueous contains times, grid block coordinates (m), gas and liquid saturations, pressure (bar), temperature (°C), pH, and aqueous species concentrations (mol/kg) at all grid blocks.

E - SI contains times, grid point coordinates (m), temperature (°C), and mineral saturation indices at all grid blocks.

We used TOUGHREACT, a numerical simulation program developed by the Lawrence Berkeley National Laboratory (LBNL) which is available at: https://tough.lbl.gov/licensing-download/toughreact-licensing-download/ to numerically model the convection of seawater in a single fault within carbonate-hosted system. The parameters used in the numerical models are given in the paper.

https://doi.org/10.5194/se-2020-99

The output files from TOUGHREACT (in Tecplot format) are visualised using trexplot, a python script developed under Hamish Robertson’s initiative which can be found at: https://github.com/hammytheham/trexplot (last access: 5 December 2020).

Please contact me via the following e-mail addresses in case you have any questions: rb17526@bristol.ac.uk or rbenjaku@gmail.com