Abstract
Carbon capture is a crucial technology to enhance climate change mitigation, however, pressing concerns are rising due to the instability of stored carbon dioxide resulting to leakage to geological storage and reversibility to the atmosphere. This study determined the kinetics of carbon sequestration in geological storing that contains nitrogen, phosphorus, and potassium derivatives modelled using GROMACS software. The quantitative experimental research design was employed in this study to investigate the theoretical and mathematical relationships of the derivatives in terms of spatial distribution, mean square deviation, energy profiles, relative density distribution, and diffusion coefficients in Monte Carlo approach. Potassium showed the strongest affinity for the carbon dioxide surface, while phosphorus exhibited the weakest. Phosphorus was the most mobile derivative, while nitrogen was the least mobile. The phosphorus had the lowest potential energy, indicating a stable interaction with the carbon dioxide. Nitrogen and potassium derivatives displayed higher potential energies, suggesting more dynamic interactions. Phosphorus was the most concentrated derivative on the carbon dioxide surface, while potassium was the least concentrated. Carbon dioxide is stable in phosphorus derivatives because of its strong affinity, high stability, and rapid diffusion. On the other hand, nitrogen and potassium derivatives leads to unstable carbon sequestration due to its slow diffusion and lower stability. For future research, we will explore the stability of the sequestered carbon in various geological conditions, and include more parameters such as long-term simulations and reactivity.
Details
Presentation Type
Paper Presentation in a Themed Session
Theme
KEYWORDS
CARBON CAPTURE, MOLECULAR DYNAMICS SIMULATIONS, KINETICS, CARBON DIOXIDE STABILITY
