Pore scale modelling in porous media is a field of research where interfaces such as the fluid – mineral boundary are explicitly represented and avoids volume-averaged properties such as porosity, permeability and reaction rates as required in a continuum scale approach. Setting up, running and extracting data from a pore scale model can be complex involving multiple software packages and coding for each problem. A new implementation of a multicomponent reactive-transport model at pore scale is presented using a java interface combining COMSOL and PhreeqC (iCP). The new model is tested using benchmark problems recently published and by simulating a laboratory experiment. The main advantages of this model are the implementation of the aqueous speciation, easy incorporation of different reaction mechanisms and rate laws, parallelization of geochemical calculations and a user-friendly interface. The iCP results agree with the benchmark and experimental results very well confirming its application to reactive-transport problems with dynamic pore geometry evolution. The importance of aqueous speciation and the chosen rate constants are demonstrated for calcite dissolution. Given the model transfers data between two codes and computes the aqueous speciation for every time step, the model is computationally expensive. Its advantages are the user-friendliness and its accuracy in computing local reaction rates and fluid composition.

多孔介质中的孔隙尺度建模是一个研究领域，其中明确表示了流体 - 矿物边界等界面，并避免了连续尺度方法中所需的体积平均属性，如孔隙率、渗透率和反应速率。从孔隙尺度模型中设置、运行和提取数据可能很复杂，涉及多个软件包和针对每个问题的编码。使用结合 COMSOL 和 PhreeqC (iCP) 的 java 接口，展示了孔隙尺度多组分反应输运模型的新实现。使用最近发布的基准问题和模拟实验室实验对新模型进行了测试。该模型的主要优点是实现了水相形态，易于结合不同的反应机制和速率定律，地球化学计算的并行化和用户友好的界面。iCP 结果与基准和实验结果非常吻合，证实了其在具有动态孔隙几何演化的反应输运问题中的应用。证明了水形态形成的重要性和所选择的速率常数对于方解石溶解。鉴于该模型在两个代码之间传输数据并计算每个时间步的含水形态，该模型的计算成本很高。它的优点是用户友好性和计算局部反应速率和流体成分的准确性。证明了水形态形成的重要性和所选择的速率常数对于方解石溶解。鉴于该模型在两个代码之间传输数据并计算每个时间步的含水形态，该模型的计算成本很高。它的优点是用户友好性和计算局部反应速率和流体成分的准确性。证明了水形态形成的重要性和所选择的速率常数对于方解石溶解。鉴于该模型在两个代码之间传输数据并计算每个时间步的含水形态，该模型的计算成本很高。它的优点是用户友好性和计算局部反应速率和流体成分的准确性。