Data Set of chemical validation of the numerical model develpment with GeoMechanics/Igg\_Hydrates simulator.

This dataset contains the chemical validation of the numerical simulator (available at https://gitee.com/geomech/hydrate). The simulator was developed based on the experimental study of heavy oil cracking conducted by Pei et al. (2020) (DOI: 10.1016/j.petrol.2020.107850). The experimental study provides key kinetic parameters critical for the simulator, including the reaction rate at the cracking threshold temperature and the mass weight percent obtained through the experiment. Using the simulator, the experiment was replicated, including the modeling of fluid properties, reactor conditions, samples, and kinetic models. The repository containing the simulator and related code is available at: https://github.com/Maryelin-31/verification_chemical_model (Version 2023) https://gitee.com/geomech/insitu-conversion (Version 2025) The original results were published in the following articles: https://doi.org/10.1016/j.petsci.2024.05.025 https://doi.org/10.3390/en16135007