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15 January 2025 CO2 diffusion to nanofluid over a wide range of temperatures and pressures: a molecular dynamics study
Xiaofei Sun, Guo Yu, Xiaoyu Li, Haoyu Ning, Zixiong Jia, Yanyu Zhang
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Proceedings Volume 13513, The International Conference Optoelectronic Information and Optical Engineering (OIOE2024); 135130Z (2025) https://doi.org/10.1117/12.3045436
Event: The International Conference Optoelectronic Information and Optical Engineering (OIOE2024), 2024, Wuhan, China
Abstract
The diffusion coefficient of CO2 significantly influences the dissolution behavior of CO2 in nanofluids, playing a crucial role in phenomena such as viscous finger formation and instability onset. Acquiring empirical measurements of the CO2 diffusion coefficient(D) presents substantial technical and economic challenges. To address these challenges, this study employs Molecular Dynamics (MD) simulation to accurately calculate the D in nanofluids over a wide range of temperatures (293–343 K) and pressures (6–24 MPa). This systematic approach enables the creation of a comprehensive dataset, thereby enhancing the existing knowledge base. The results indicate that the increase in pressure functions as the driving force behind the diffusion of CO2, resulting in an enhancement of D. Regarding the temperature variation effects, elevated temperatures lead to a concurrent increase in the D. However, the increased thermal motion of cations at higher temperatures facilitate the formation of hydration shells, which hampers the diffusion of CO2.
(2025) Published by SPIE. Downloading of the abstract is permitted for personal use only.
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Xiaofei Sun, Guo Yu, Xiaoyu Li, Haoyu Ning, Zixiong Jia, and Yanyu Zhang "CO2 diffusion to nanofluid over a wide range of temperatures and pressures: a molecular dynamics study", Proc. SPIE 13513, The International Conference Optoelectronic Information and Optical Engineering (OIOE2024), 135130Z (15 January 2025); https://doi.org/10.1117/12.3045436
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KEYWORDS
Diffusion
Molecules
Carbon dioxide
Carbon monoxide
Sodium
Silica
Absorption
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