GeoChemFoam files for tracer transport simulation on a low-resolution CT image of reaggregated Oxford Clay

The simulation models tracer being injected at the inlet of a reaggregated pressed column of Oxford Clay, based on a pressure drop across the length of the column. The Oxford Clay sample used was a "Rockfall sample" collected from the Must Farm quarry in October 2023, UK Grid reference location is Easting 523647 and Northing 296788. Foil wrapping was used as a preservation method. The upload contains: > A zip file containing bash script files and the CT image in ".raw" format on which the simulation is performed, > An HDF5 file containing the results for velocity U, porosity field eps and tracer concentration T for 0, 0.2, 0.4, 0.6, 0.8 and 1 pore-volumes injected. In order to run these case files you will need to download and install GeoChemFoam. The GeoChemFoam software is available open-source and can be downloaded (for free) directly from its GitHub page which also contains tutorials and example cases: https://github.com/GeoChemFoam The './runAll.sh' script will run the entire workflow (i.e. generate the mesh from the CT image, solve for flow, compute porosity and permeability, and then solve for transport) to generate the data contained in the .hdf5 file. GeoChemFoam is an open-source code based on the OpenFoam CFD toolbox, and is under active development at the Institute of GeoEnergy Engineering, Heriot-Watt University, https://github.com/GeoChemFoam The overarching goal of the code is to simulate reactive transport in porous media applications at the pore-scale. The data in this deposit was generated as part of the GeoSafe project. The aim of the GeoSafe project is to undertake fundamental research that will advance our understanding related to hosting a Geological Disposal Facility (GDF) for radioactive waste within Lower Strength Sedimentary Rock formations in the UK. The project is focussed on 3 challenge areas, namely, i) geological isolation, ii) contaminant pathways, and iii) mathematical modelling. This dataset is related to pore-scale modelling in Lower Strength Sedimentary Rocks (LSSRs) targeted by GeoSafe, in particular, the Oxford Clay. Pore-scale simulations are performed using experimental parameters (e.g. flowrate, duration) and upscaling parameters (e.g. permeability, dispersivity, reaction constants) can be extracted from the pore-scale models which will input into reactive transport modelling at the larger-scale.

Date (Creation): 2026-03-03

Citation identifier: http://data.bgs.ac.uk/id/dataHolding/13608651

Point of contact

Organisation name	Individual name	Electronic mail address	Role
Heriot-Watt University	Jacqueline Mifsud	not available	Originator
University of Manchester	Jingyue Hao	not available	Originator
University of Manchester	Callum Robinson	not available	Originator
Heriot-Watt University	Julien Maes	not available	Originator
Heriot-Watt University	Hannah Menke	not available	Originator
Heriot-Watt University	Florian Doster	not available	Originator
British Geological Survey	Enquiries	not available	Distributor
British Geological Survey	Enquiries	not available	Point of contact

Maintenance and update frequency: notApplicable

GEMET - INSPIRE themes, version 1.0

Geology

BGS Thesaurus of Geosciences

Simulation

dataCentre

Keywords

NERC_DDC

Access constraints: Other restrictions

Other constraints: restricted

Other constraints: The dataset has been formally approved by BGS for access by external clients under a BGS Digital Data Licence, issued via BGS's IPR Section. The dataset must not be provided to, or be accessible by, an external client until the IPR Section confirms that signed licence documentation is in place. Refer to the IPR Section (DigitalLE@bgs.ac.) if further advice is required.. Constraint applies until 2026-09-30

Use constraints: Other restrictions

Other constraints: The copyright of materials derived from the British Geological Survey's work is vested in the Natural Environment Research Council [NERC]. No part of this work may be reproduced or transmitted in any form or by any means, or stored in a retrieval system of any nature, without the prior permission of the copyright holder, via the BGS Intellectual Property Rights Manager. Use by customers of information provided by the BGS, is at the customer's own risk. In view of the disparate sources of information at BGS's disposal, including such material donated to BGS, that BGS accepts in good faith as being accurate, the Natural Environment Research Council (NERC) gives no warranty, expressed or implied, as to the quality or accuracy of the information supplied, or to the information's suitability for any use. NERC/BGS accepts no liability whatever in respect of loss, damage, injury or other occurence however caused.

Other constraints: Either: (i) the dataset is made freely available, e.g. via the Internet, for a restricted category of use (e.g. educational use only); or (ii) the dataset has not been formally approved by BGS for access and use by external clients under licence, but its use may be permitted under alternative formal arrangements; or (iii) the dataset contains 3rd party data or information obtained by BGS under terms and conditions that must be consulted in order to determine the permitted usage of the dataset. Refer to the BGS staff member responsible for the creation of the dataset if further advice is required. He / she should be familiar with the composition of the dataset, particularly with regard to 3rd party IPR contained in it, and any resultant use restrictions. This staff member should revert to the IPR Section ( ipr@bgs.ac.uk) for advice, should the position not be clear.

Language: English

Topic category

Geoscientific information

Begin date: 2025-01-01

End date: 2026-03-02

Reference System Information

No information provided.

Distribution format

Name	Version

Distributor contact

Organisation name	Individual name	Electronic mail address	Role
British Geological Survey	Enquiries	not available	Distributor

OnLine resource

Protocol	Linkage	Name
WWW:DOWNLOAD-1.0-http--download	https://webapps.bgs.ac.uk/services/ngdc/accessions/index.html#item191768	Data

OnLine resource

Protocol	Linkage	Name
WWW:LINK-1.0-http--related	https://doi.org/10.5285/00f41ecc-ba37-4d4a-baf7-c4a3adb55d31	Citation Information - Digital Object Identifier (DOI)

Hierarchy level: Non geographic dataset

Other: non geographic dataset

Conformance result

Title: INSPIRE Implementing rules laying down technical arrangements for the interoperability and harmonisation of Geology

Date (Publication): 2011

Explanation: See the referenced specification

Pass: No

Conformance result

Title: Commission Regulation (EU) No 1089/2010 of 23 November 2010 implementing Directive 2007/2/EC of the European Parliament and of the Council as regards interoperability of spatial data sets and services