A detailed description of the calculation can be found in the following paper. If this calculation proves valuable to your research, please consider citing our work:
Qingsong Zou, Kejiang Li*, Xiangyu He, Alberto N. Conejo, Jianliang Zhang, Chunhe Jiang, Zeng Liang, Zonghao Yang. Thermodynamic and molecular dynamics study of methane dry reforming.Journal of the Energy Institute. 2024, 10870. https://doi.org/10.1016/j.joei.2024.101870