# Title of Dataset The impact of ice sheet geometry on meltwater ingress and reactive solute transport in sedimentary basins. # Brief summary of dataset contents This dataset includes the input files and simulated results of sutdy "The impact of ice sheet geometry on meltwater ingress and reactive solute transport in sedimentary basins", published in Water Resources Research. The dataset contains one 2D simulation scenario and three 3D simulation scenarios. Each simulation scenario has one folder. ## Description of the Simulation Folders Folder: ./basin-2d-quad/basin-3d-circle-cs-tracer-sand1-dol1/basin-3d-cs-ice3k-single-E3-min-e0-sand1-dol1 Description: 2D simulation scenario. Folder: ./basin-3d-hexa/basin-3d-circle-rtm-d25-2000-tracer-sand1-dol1/basin-3d-ice3k-single-E1-min-e0-sand1-dol1 Description: 3D simulation scenario with narrow ice sheet. Folder: ./basin-3d-hexa/basin-3d-circle-rtm-d25-2000-tracer-sand1-dol1/basin-3d-ice3k-single-E2-min-e0-sand1-dol1 Description: 3D simulation scenario with medium width ice sheet. Folder: ./basin-3d-hexa/basin-3d-circle-rtm-d25-2000-tracer-sand1-dol1/basin-3d-ice3k-single-E3-min-e0-sand1-dol1 Description: 3D simulation scenario with wide width ice sheet. ## Description of the Input Files MIN3P input data consist of main input file 'prefix'.dat, associated input files 'prefix'.* linked to the input file and database folder. The 'prefix' here represents the name of the input file (e.g., basin-3d-cs for 2D simulation scenario) and * represents different assocaiate data files. A list of input files are shown below: prefix.dat: Main input file. prefix.aqt.vtk: Aqueous concentration data in vtk file format. prefix.cec.vtk: Cation exchange capacity data in vtk file format. prefix.energybal.vtk: Heat data in vtk file format. prefix.hyc.vtk: Hydraulic conductivity data in vtk file format. prefix.ivs.vtk: Flow condition data in vtk file format. prefix.min.vtk: Mineral data in vtk file format. prefix.por.vtk: Porous media porosity data in vtk file format. prefix.skempton.vtk: Skempton coefficient data in vtk file format. prefix.spstor.vtk: Specific storage coefficient data in vtk file format. prefix.surf.vtk: Mineral surface area data in vtk file format. prefix.bcice: Transient boundary condition data for ice sheet. prefix.vtk: Mesh data in vtk file format. ## Description of the Output Files MIN3P output data consist of spatial output file and transient output file. Please note the code supports either ascii or binary format in the output. In the current simulations, for the spatial output, ascii format (e.g., *.vtk file) is used in 2D simulation scenario and binary format (*.vtk.h5) is used in 3D simulation scenarios. For the transient output, ascii format is used in both 2D and 3D simulation scenarios. The spatial output data set can be viewed by ParaView and the transient data set can be viewed by Tecplot. Please note, some of the output files that are not used in data analysis have been removed to save storage space. User can always regenerate these files by rerun the simulations. Definition of variables in the output files are described in prefix_o.fls file in each folder. For more information about the code and instruction to run the code, please look at MIN3P user manual, which is available from link https://eilinator.eos.ubc.ca:8443/index.php/s/5t8bXDnvfUAlPRF. ## Description of the ./plots Folders inside Simulation Folder This folder includes the converted spatial output data, figures and animation. The data is converted by ParaVeiw from legacy vtk format or binary hdf5 format to ascii vtu format so that it can be postprocessed by Tecplot. The data inside this folder is mainly for making animation of the simulation result. Description of the files are shown below. prefix_i.gsp.vtu: The ith flow output in vtu format, converted from prefix_i.gsp.vtk (or prefix_i.gsp.h5 in 3D) by ParaView. prefix_i.vel.vtu: The ith velocity output in vtu format, converted from prefix_i.vel.vtk (or prefix_i.vel.h5 in 3D) by ParaView. prefix_i.gst.vtu: The ith solute concentration output in vtu format, converted from prefix_i.gst.vtk (or prefix_i.gst.h5 in 3D) by ParaView. prefix_i.ice.vtu: The ith ice sheet output in vtu format, converted from prefix_i.ice.vtk (or prefix_i.ice.h5 in 3D) by ParaView. prefix_i.gsp.lay: Tecplot layout to make visulization of pressure head and ice sheet from the ith flow output. prefix_i.vel.lay: Tecplot layout to make visulization of velocity and ice sheet from the ith velocity output. prefix_i.o2aq.lay: Tecplot layout to make visulization solute O2aq and ice sheet from the ith solute concentration output. prefix_i.tracer-h.lay: Tecplot layout to make visulization solute tracer-h and ice sheet from the ith solute concentration output. prefix_i.gsp.py: Python script to call Tecplot layout prefix_i.gsp.lay. prefix_i.vel.py: Python script to call Tecplot layout prefix_i.vel.lay. prefix_i.o2aq.py: Python script to call Tecplot layout prefix_i.o2aq.lay. prefix_i.tracer-h.py: Python script to call Tecplot layout prefix_i.tracer-h.lay. prefix_i.gsp.png: The ith output of pressure head and ice sheet figure exported by Tecplot. prefix_i.vel.png: The ith output of velocity and ice sheet figure exported by Tecplot. prefix_i.o2aq.png: The ith output of o2aq concentration and ice sheet figure exported by Tecplot. prefix_i.tracer-h.png: The ith output of tracer-h concentration and ice sheet figure exported by Tecplot. prefix_i.png: Combination of prefix_i.gsp.png, prefix_i.vel.png, prefix_i.o2aq.png and prefix_i.tracer-h.png in 2x2 layout. prefix.gsp.gif: The animation of pressure head and ice sheet over the simulation period. prefix.vel.gif: The animation of velocity and ice sheet over the simulation period. prefix.o2aq.gif: The animation of o2aq concentration and ice sheet over the simulation period. prefix.gif.png: The animation of tracer-h concentration and ice sheet over the simulation period. Please note the python script is not required to make visualization. User can launch Tecplot directly and load the Tecplot layout file to make visualization. ## Description of the ./post-processing Folder This folder includes the the main data, Tecplot layout and exported figures that have been used in the publication. The spatial output data is located insided ./plots folder and we use relative data file path in the Tecplot layout file. Please note that some of the figures in the publication have been merged together and not all the figures are used in the final publication. Description of the files are shown below. basin-2d-por-loading-coeff.lay: Tecplot layout to make visualization of porosity, loading efficiency and specific storage coefficitn. basin-2d-por-loading-coeff.png: The output figure of porosity, loading efficiency and specific storage coefficitn. basin-3d-24-2d-3d-local.den-ini.lay: Tecplot layout to make visualization of initial water density. basin-3d-24-2d-3d-local.den-ini.png: The output figure of initial water density. basin-3d-24-2d-3d-local.den.lay: Tecplot layout to make visualization of the 24th output of water density for both 2D and 3D scenarios. basin-3d-24-2d-3d-local.den.png: The 24th spatial output figure of water density for both 2D and 3D scenarios. basin-3d-24-2d-3d-o2aq.lay: Tecplot layout to make visualization of the 24th output of simulated o2aq concentration for both 2D and 3D scenarios. basin-3d-24-2d-3d-o2aq.png: The 24th output of simulated o2aq concentration for both 2D and 3D scenarios. basin-3d-24-2d-3d-tracer-h-sand1-dol1.lay: Tecplot layout to make visualization of the 24th output of simulated tracer-h concentration for both 2D and 3D scenarios. basin-3d-24-2d-3d-tracer-h-sand1-dol1.png: The 24th output of simulated tracer-h concentration for both 2D and 3D scenarios. basin-3d-cs_24.vel.lay: Tecplot layout to make visualization of the 24th output of simulated velocity at the cross section (cs). basin-3d-cs_24.vel.png: The 24th output of simulated velocity at the cross section (cs). basin-3d-cs-local_i.vel.lay: Tecplot layout to make visualization of the ith output of simulated velocity at the cross section (cs), zoomed local view. basin-3d-cs-local_i.vel.png: The ith output of simulated velocity at the cross section (cs), zoomed local view. basin-3d-cs-tracer-h-obs.lay: Tecplot layout to make visualization of the observation points and source points at the cross section (cs). basin-3d-cs-tracer-h-obs.png: The output figure of observation points and source points at the cross section (cs). basin-3d-hexa-3d-tracer-h-obs-sand1-dol1.lay: Tecplot layout to make visualization of the observation points and source points in 3D space. basin-3d-hexa-3d-tracer-h-obs-sand1-dol1.png: The output figure of observation points and source points in 3D space. basin-3d-hexa_narrow_24.vel.lay: Tecplot layout to make visualization of the 24th velocity output associated with narrow icesheet. basin-3d-hexa_narrow_24.vel.png: The output figure of the 24th simulated velocity associated with narrow icesheet. basin-3d-hexa_wide_24.vel.lay: Tecplot layout to make visualization of the 24th velocity output associated with wide icesheet. basin-3d-hexa_wide_24.vel.png: The output figure of the 24th simulated velocity associated with wide icesheet. icesheet-length-thickness-width.lay: Tecplot layout to make visualization of icesheet characteristics during the simulation period. icesheet-length-thickness-width.png: The output figure of icesheet characteristics during the simulation period. trans-comp-cross-gbp-ice.lay: Tecplot layout to make visualization of simulated pressure head change at different observation points during the simulation period. trans-comp-cross-gbp-ice.png: The output figure of simulated pressure head change at different observation points during the simulation period. trans-comp-cross-o2aq-ice.lay: Tecplot layout to make visualization of simulated o2aq concentration change at different observation points during the simulation period. trans-comp-cross-o2aq-ice.png: The output figure of simulated o2aq concentration change at different observation points during the simulation period. trans-comp-cross-tracer-h-ice.lay: Tecplot layout to make visualization of simulated traacer concentration change at different observation points during the simulation period. trans-comp-cross-tracer-h-ice.png: The output figure of simualted tracer concentration change at different observation points during the simulation period. The following dataset are used in the above plot. basin-3d-cs.hyc.vtu: Hydraulic data at the cross section. basin-3d-hexa.hyc.vtu: Hydraulic data in 3D space. basin-3d-cs.por.vtu: Porosity data at the cross section. basin-3d-cs.skempton.vtu: Skempton coefficient data at the cross section. basin-3d-cs.spstor.vtu: Sepcific storage coefficient data at the cross section. data-description.txt: Folder instructure used in the simulation. icesheet-length-thickness-width.txt: Icesheet characteristics data. observation-points-cs-sand-tracer-h.dat: Observation points at the cross section, sand units. observation-points-cs-other-tracer-h.dat: Observation points at the cross section, other units. observation-points-hexa-lateral-30-sand-tracer-h.dat: Observation points at the 30 degree cross section in 3D space, sand units. observation-points-hexa-lateral-30-other-tracer-h.dat: Observation points at the 30 degree cross section in 3D space, other units. observation-points-hexa-lateral-60-sand-tracer-h.dat: Observation points at the 60 degree cross section in 3D space, sand units. observation-points-hexa-lateral-60-other-tracer-h.dat: Observation points at the 30 degree cross section in 3D space, other units. observation-points-hexa-sand-tracer-h.dat: Observation points in 3D space, sand units. observation-points-hexa-other-tracer-h.dat: Observation points in 3D space, other units. tracer-points-cs-tracer-h.dat: Tracer points (source points) at the cross section. tracer-points-cs-tracer-h-low-K.dat: Tracer points (source points) at the cross section of low permeability layer. tracer-points-hexa-tracer-h.dat: Tracer points (source points) in 3D space. tracer-points-hexa-tracer-h-sand1-dol1.dat: Tracer points (source points) in 3D space. ## Description of the Executable Files File: MIN3P-THCm-MPI-Version-CentOS7.9-IntelCompiler2019u4-Intelmpi2019u4-petsc3.13.5 Description: MPI parallel version of the code used to run the 3D model. File: MIN3P-THCm-OpenMP-Version-CentOS7.9-IntelCompiler2019u4 Description: OpenMP parallel version of the code used to run the 2D model. ## Availability of Software, User Manual and other Examples Software, user manual and other examples are avaialble from link https://eilinator.eos.ubc.ca:8443/index.php/s/5t8bXDnvfUAlPRF. If you want to keep updated with new version of the software, please send a request at https://www.min3p.com/contact-us.