The effect of temperature on asphaltene transformation and agglomeration in oil pressure tank systems under injection of carbon dioxide in a porous structure: A molecular dynamics study

•Thermodynamic equilibrium occurred within 10 ns, and the values of Temp and KE converged to 310 K and 0.86 kcal/mol, respectively.•The process of agglomeration of asphaltene molecules took place effectively within 10 ns.•The gyration radius stabilized at 30.5 Å, indicating an equilibrium state that helps understand asphaltene behavior.•Asphaltene agglomeration increased viscosity to around 23.3 Pa s at 300 K by reducing molecular movement.•The maximum density profile of the simulated prototype diminished from 0.0225 to 0.0207 atom/Å3 as the Temp increased from 300 to 400 K. Asphaltene is a complex blend of high-molecular-weight hydrocarbons present in crude oil. It is a solid, insoluble component that precipitates from oil under certain circumstances, such as temperature (Temp), pressure, or composition changes. Despite its problems, asphaltene has potential uses in a variety of sectors, including the manufacture of carbon materials, asphalt, and pharmaceuticals. Specifically, this study investigated the changes in the asphaltene compaction process under carbon dioxide (CO2) injection by examining changes in initial temperature and analyzing influencing parameters such as radial distribution function, radius of gyration, and density changes. In this study, thermodynamic equilibrium in simulated asphaltene samples was achieved within 10 ns, with temperature and kinetic energy stabilizing at 310 K and 0.86 kcal/mol, respectively. The subsequent analysis focused on the agglomeration of asphaltene molecules under varying temperatures. The agglomeration process was completed within 10 ns, with the gyration radius stabilizing at 30.5 Å, providing insights into asphaltene behavior and its impact on petroleum fluid properties. At 300 K, asphaltene agglomeration increased viscosity to 23.3 Pa s by reducing molecular movement, illustrating the complex relationship between aggregation and fluid viscosity. The study also observed that asphaltene agglomeration increased viscosity to approximately 23.3 Pa s at 300 K due to reduced molecular movement. As the temperature was raised from 300 to 400 K, the maximum density profile decreased from 0.0225 to 0.0207 atom/Å3, while the gyration radius of asphaltene molecules decreased from 30.54 to 28.51 Å and viscosity increased from 23.3 to 23.92 Pa s. These results highlight the intricate effects of temperature on asphaltene dynamics and petroleum fluid properties.