We consider a reactive multiphase multicomponent Darcy flow in a porous medium while taking into account the effects of temperature. This flow model is coupled to an energy balance equation and ordinary and/or algebraic differential equations to model the chemical reactions. The model is discretized using a cell-centered finite volume method with implicit Euler or second order backward differential formula time discretization. Both sequential and fully coupled fully implicit strategies are considered. Two new DuMu\(^X\) modules are developed based on the above schemes. Two numerical examples are presented to validate the implementation of the two methods and the capability of the code to solve \(\hbox {CO}_2\) sequestration scenarios. The first test addresses a one-dimensional radial problem to study thermal effects on injectivity during \(\hbox {CO}_2\) storage. For this purpose, isothermal/nonisothermal comparisons are carried out to highlight these differences, which can modify the flow. The second test is chosen to test the code to approximate solutions for a three-dimensional benchmark based on the Johansen \(\hbox {CO}_2\) storage operation. Then, we compare the efficiency, performance in terms of computation time, and parallel scalability of the sequential and implicit methods. In conclusion, both modules demonstrate accuracy, numerical robustness, and the potential to solve realistic problems. With an equal time step, the sequential scheme can be faster than the implicit scheme, but the splitting can present a loss of accuracy, particularly concerning the conservation of mass of the injected \(\hbox {CO}_2\).

我们考虑多孔介质中的反应性多相多组分达西流，同时考虑温度的影响。该流动模型与能量平衡方程和常微分方程和/或代数微分方程耦合以模拟化学反应。该模型使用隐式欧拉或二阶后向微分公式时间离散化的单元中心有限体积法进行离散化。顺序策略和完全耦合的完全隐式策略都被考虑。基于上述方案开发了两个新的DuMu \(^X\)模块。提供了两个数值示例来验证两种方法的实现以及代码求解\(\hbox {CO}_2\)的能力封存情景。第一个测试解决了一维径向问题，以研究\(\hbox {CO}_2\)存储期间对注入性的热影响。为此，进行等温/非等温比较以突出这些差异，这可以修改流量。选择第二个测试来测试代码以基于 Johansen \(\hbox {CO}_2\)三维基准的近似解决方案存储操作。然后，我们比较顺序方法和隐式方法的效率、计算时间性能和并行可扩展性。总之，这两个模块都展示了准确性、数值稳健性以及解决实际问题的潜力。在相同的时间步长下，顺序方案可以比隐式方案更快，但分裂可能会造成精度损失，特别是在注入\(\hbox {CO}_2\)的质量守恒方面。