Code for: Seasonal Dynamics of Gaseous CO2 Concentrations in a Karst Cave Correspond With Aqueous Concentrations in a Stagnant Water Column

This dataset contains the DuMux code for the simulations in https://doi.org/10.3390/geosciences13020051 For the detailed list of software used, please have a look at the file install_class2023.sh. To run the simulations at your own computer, please conduct the following steps: Install docker for example in ubuntu . Make sure you can run docker without sudo. build the docker image: docker build -t class2023 --build-arg UID=$(id -u) --build-arg GID=$(id -g) . This makes sure that your container has the right user and group id to avoid permission issues. Run the container. ./docker_class2023.sh open To exit the container type: exit To re enter the container type: docker restart [container-id] docker exec -it [container-id] bash When you are inside the running container you can run the following simulations: Simulations of the real world scenario: cd class2023a/build-cmake/appl/isothermal/column/ Select the scenario by entering the folder (for example the normal case) cd normal Run the simulation ./../column_isothermal ./../params.input For other scenarios enter a different directory and type either: ./../column_isothermal_pulses ./../params.input ./../column_isothermal_superdiffusion ./../params.input Grid studies: cd class2023a/build-cmake/test/isothermal/columntop_constant/results/ or : cd class2023a/build-cmake/test/isothermal/columntop_usedata/results/ Run the prepare simulation script: python3 prepare_simulations.py Go in the directory of interest and run the simulation: ./../../columntop_constant params.input Or: ./../../columntop_usedata params.input 2D and 3D comparison: First the 2D simulation: cd class2023a/build-cmake/test/isothermal/smallcolumn/results/ Then run the simulation ./../smallcolumn_isothermal ./../params.input 3D simulation: cd class2023a/build-cmake/test/isothermal/smallcolumn3D/results/ Then run the simulation ./../smallcolumn3D_isothermal ./../params.input All the results of the simulation will be available on your host-machine in the corresponding folder.

本数据集包含用于复现https://doi.org/10.3390/geosciences13020051 中仿真实验的DuMux代码。所用软件的详细清单，请查阅install_class2023.sh脚本文件。

若需在本地计算机上运行本仿真实验，请遵循以下操作步骤：
1. 安装Docker（以Ubuntu系统为例），确保可无需sudo权限运行Docker。
2. 构建Docker镜像：执行命令`docker build -t class2023 --build-arg UID=$(id -u) --build-arg GID=$(id -g) .`，该命令可确保容器拥有正确的用户与组ID，避免权限冲突问题。
3. 启动容器：执行`./docker_class2023.sh open`。退出容器可输入`exit`；如需重新进入容器，需执行`docker restart [容器ID]`与`docker exec -it [容器ID] bash`。

进入运行中的容器后，可执行以下三类仿真实验：

### 真实场景仿真
进入目录`class2023a/build-cmake/appl/isothermal/column/`，通过切换子文件夹选择对应场景（例如标准工况）：
`cd normal`
运行仿真：`./../column_isothermal ./../params.input`
如需运行其他场景，可切换至对应目录并执行以下命令之一：
`./../column_isothermal_pulses ./../params.input`
或`./../column_isothermal_superdiffusion ./../params.input`

### 网格敏感性仿真
进入以下任一目录：
`cd class2023a/build-cmake/test/isothermal/columntop_constant/results/`
或`cd class2023a/build-cmake/test/isothermal/columntop_usedata/results/`
运行仿真准备脚本：`python3 prepare_simulations.py`
进入目标目录并启动仿真：
`./../../columntop_constant params.input`
或`./../../columntop_usedata params.input`

### 二维与三维仿真对比
1. 二维仿真：
进入目录`class2023a/build-cmake/test/isothermal/smallcolumn/results/`，运行仿真：`./../smallcolumn_isothermal ./../params.input`
2. 三维仿真：
进入目录`class2023a/build-cmake/test/isothermal/smallcolumn3D/results/`，运行仿真：`./../smallcolumn3D_isothermal ./../params.input`

所有仿真结果均可在宿主机的对应目录下获取。