Numerical models for simulating reactive flow of HCl and CO2-rich water in cm-scale limestone samples [Dataset]

This dataset is composed of the files required for simulating laboratory-scale injection of CO2-saturated water and HCl solution into cm-scale limestone samples. Six files required for simulating the CO2 injection experiment are included in the folder named CO2. The names of these files are as follows: “CO2-input”: input file read by the Crunchflow code and providing the necessary physical and chemical parameters needed for the simulation -these parameters mainly include time intervals, discretization, initial and boundary conditions, geochemical conditions-; “database”: geochemical database for running the simulation; “64bit-libiomp5md”: A dynamic link library (DLL) required to run the Crunchflow code; “Perm.in.x”: permeability file in X direction for all grids; “Perm.in.y”: permeability file in Y direction for all grids; “Perm.in.z”: permeability file in Z direction for all grids. The same files for simulating the HCl injection experiment are included in the folder named HCl. This folder includes two input files “HCl-input-1” and “HCl-input-2” (instead of one) required for simulating the two stages of HCl solution injection into the limestone sample. To run the simulations, one needs to execute the Crunchflow executable file and enter the name of the input file, i.e., either “CO2-input” or “HCl-input-1” with the suffix “.in” in the command window and press enter. Note that in the HCl injection case, you only need to run the “HCl-input-1” file. The second input file will be read at the proper time by the keyword “later_inputfiles HCl-input-2.in” defined in the “HCl-input-1”.

本数据集包含用于模拟实验室规模下向厘米级石灰岩样品注入CO₂饱和水与HCl溶液所需的全部文件。名为CO2的文件夹中收录了6个用于CO₂注入实验模拟的文件，具体名称如下：“CO2-input”：Crunchflow代码读取的输入文件，用于提供模拟所需的全部物理化学参数，主要涵盖时间间隔、离散化设置、初始与边界条件、地球化学条件等；“database”：用于运行模拟的地球化学数据库；“64bit-libiomp5md”：运行Crunchflow代码所需的动态链接库（DLL）；“Perm.in.x”：全网格X方向渗透率文件；“Perm.in.y”：全网格Y方向渗透率文件；“Perm.in.z”：全网格Z方向渗透率文件。名为HCl的文件夹中收录了HCl注入实验模拟所需的对应文件，由于该实验分为两个注入阶段，因此包含两个输入文件“HCl-input-1”与“HCl-input-2”（而非单个输入文件）。若需运行模拟，需执行Crunchflow可执行文件，在命令窗口中输入带“.in”后缀的输入文件名（如“CO2-input.in”或“HCl-input-1.in”）后按下回车即可。需注意，在HCl注入实验中仅需运行“HCl-input-1”文件，第二个输入文件将通过“HCl-input-1”中定义的关键词“later_inputfiles HCl-input-2.in”在合适时机自动读取。