Replication Code for: Implementation Pitfalls for Carbonate Mineral Dissolution – a Technical Note

The image includes pre-built installations of DuMuX and Reaktoro, configured to run our specific simulation cases. Contents docker_image_paper_reviewer.tar (8.8 GB): Docker image containing the full computational environment Running Simulations and Data Transfer Create and prepare the output directory: mkdir output chmod 777 output Load the image into Docker: docker load < docker_image_paper_reviewer.tar Run the container with mounted output directory: docker run -itv ./output:/home/reviewer/output reviewer_docker_new To detach from the container without stopping it: Press Ctrl+P followed by Ctrl+Q To reenter a detached container: docker ps Find your container ID, then: docker attach CONTAINER_ID Inside the container, run the DuMuX simulation: cd ${DUMUX_BATCH_DIR}/build-cmake/test/reaction_rate/ ./test_ReactionRate Run the Reaktoro simulations: cd ${REAKTORO_BATCH_DIR}/build ./calcite_dissolution_corrected ./calcite_dissolution_palandri_kharaka Copy results to the mounted output directory: cd ${DUMUX_BATCH_DIR}/build-cmake/test/reaction_rate/ cp dumux-corrected.csv ${OUTPUT_DIR}/ cd ${REAKTORO_BATCH_DIR}/build cp reaktoro-palandri-kharaka.csv ${OUTPUT_DIR}/ cp reaktoro-corrected.csv ${OUTPUT_DIR}/ Exit the container: Type exit or press Ctrl+D The results are now available in your local './output' directory Security Notice This Docker container requires elevated privileges to run.

While we ensure no malicious content is included, as with any third-party software requiring elevated privileges, users should exercise appropriate caution. For maximum security, users can alternatively build the environment themselves using our publicly available Dockerfile and installation instructions at: Git Repository Alternative Installation For users who prefer to build the environment manually or cannot use the provided Docker image, please refer to our Git Repository which contains: Source Code of Simulations Complete Dockerfile Manual installation instructions All necessary source code and configuration files