Determination of CO2 diffusivity in subsurface systems using molecular dynamics simulation

Oluwaseyi Aliu; Hamzah Sakidin; Jalal Foroozesh; Surajudeen Sikiru

doi:10.1063/5.0018070

Determination of CO₂diffusivity in subsurface systems using molecular dynamics simulation

Oluwaseyi Aliu^*, Hamzah Sakidin, Jalal Foroozesh, Surajudeen Sikiru

^*Corresponding author for this work

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Abstract

The urgency in demand for global warming alleviation has necessitated more research into carbon-dioxide diffusion (CO₂) both for sequestration and enhanced oil recovery. Captured atmospheric CO₂ can be stored underground to leave a haven for the populace. CO₂ diffusivity in oil-brine-rock systems at various pressures and temperatures and also solely in brine with different ions but at a fixed temperature and pressure are studied. Increases in pressure and temperature leads to increase in diffusion coefficient of CO₂ in oil-brine-rock systems. On the other hand, in CO₂-brine system, the variations of ions affect CO₂ diffusion while Ca ion appears to result in the highest diffusivity of CO₂ in brine thereby, suggesting saline aquifers with Ca ion as the best choice for CO₂ sequestration.

Original language	English
Title of host publication	Proceedings of the 27th National Symposium on Mathematical Sciences, SKSM 2019
Editors	Siti Nur Iqmal Ibrahim, Noor Akma Ibrahim, Fudziah Ismail, Lai Soon Lee, Wah June Leong, Habshah Midi, Nadihah Wahi
Publisher	American Institute of Physics Inc.
Number of pages	10
ISBN (Electronic)	9780735420298
DOIs	https://doi.org/10.1063/5.0018070
Publication status	Published - 6 Oct 2020
Event	27th National Symposium on Mathematical Sciences, SKSM 2019 - Bangi, Selangor, Malaysia Duration: 26 Nov 2019 → 27 Nov 2019

Publication series

Name	AIP Conference Proceedings
Volume	2266
ISSN (Print)	0094-243X
ISSN (Electronic)	1551-7616

Conference

Conference	27th National Symposium on Mathematical Sciences, SKSM 2019
Country/Territory	Malaysia
City	Bangi, Selangor
Period	26/11/19 → 27/11/19

Access to Document

10.1063/5.0018070

Cite this

Aliu, O., Sakidin, H., Foroozesh, J., & Sikiru, S. (2020). Determination of CO₂diffusivity in subsurface systems using molecular dynamics simulation. In S. N. I. Ibrahim, N. A. Ibrahim, F. Ismail, L. S. Lee, W. J. Leong, H. Midi, & N. Wahi (Eds.), Proceedings of the 27th National Symposium on Mathematical Sciences, SKSM 2019 Article 050014 (AIP Conference Proceedings; Vol. 2266). American Institute of Physics Inc.. https://doi.org/10.1063/5.0018070

Aliu, Oluwaseyi ; Sakidin, Hamzah ; Foroozesh, Jalal et al. / Determination of CO₂diffusivity in subsurface systems using molecular dynamics simulation. Proceedings of the 27th National Symposium on Mathematical Sciences, SKSM 2019. editor / Siti Nur Iqmal Ibrahim ; Noor Akma Ibrahim ; Fudziah Ismail ; Lai Soon Lee ; Wah June Leong ; Habshah Midi ; Nadihah Wahi. American Institute of Physics Inc., 2020. (AIP Conference Proceedings).

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title = "Determination of CO2 diffusivity in subsurface systems using molecular dynamics simulation",

abstract = "The urgency in demand for global warming alleviation has necessitated more research into carbon-dioxide diffusion (CO2) both for sequestration and enhanced oil recovery. Captured atmospheric CO2 can be stored underground to leave a haven for the populace. CO2 diffusivity in oil-brine-rock systems at various pressures and temperatures and also solely in brine with different ions but at a fixed temperature and pressure are studied. Increases in pressure and temperature leads to increase in diffusion coefficient of CO2 in oil-brine-rock systems. On the other hand, in CO2-brine system, the variations of ions affect CO2 diffusion while Ca ion appears to result in the highest diffusivity of CO2 in brine thereby, suggesting saline aquifers with Ca ion as the best choice for CO2 sequestration.",

author = "Oluwaseyi Aliu and Hamzah Sakidin and Jalal Foroozesh and Surajudeen Sikiru",

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Aliu, O, Sakidin, H, Foroozesh, J & Sikiru, S 2020, Determination of CO₂diffusivity in subsurface systems using molecular dynamics simulation. in SNI Ibrahim, NA Ibrahim, F Ismail, LS Lee, WJ Leong, H Midi & N Wahi (eds), Proceedings of the 27th National Symposium on Mathematical Sciences, SKSM 2019., 050014, AIP Conference Proceedings, vol. 2266, American Institute of Physics Inc., 27th National Symposium on Mathematical Sciences, SKSM 2019, Bangi, Selangor, Malaysia, 26/11/19. https://doi.org/10.1063/5.0018070

Determination of CO₂diffusivity in subsurface systems using molecular dynamics simulation. / Aliu, Oluwaseyi; Sakidin, Hamzah; Foroozesh, Jalal et al.
Proceedings of the 27th National Symposium on Mathematical Sciences, SKSM 2019. ed. / Siti Nur Iqmal Ibrahim; Noor Akma Ibrahim; Fudziah Ismail; Lai Soon Lee; Wah June Leong; Habshah Midi; Nadihah Wahi. American Institute of Physics Inc., 2020. 050014 (AIP Conference Proceedings; Vol. 2266).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

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AB - The urgency in demand for global warming alleviation has necessitated more research into carbon-dioxide diffusion (CO2) both for sequestration and enhanced oil recovery. Captured atmospheric CO2 can be stored underground to leave a haven for the populace. CO2 diffusivity in oil-brine-rock systems at various pressures and temperatures and also solely in brine with different ions but at a fixed temperature and pressure are studied. Increases in pressure and temperature leads to increase in diffusion coefficient of CO2 in oil-brine-rock systems. On the other hand, in CO2-brine system, the variations of ions affect CO2 diffusion while Ca ion appears to result in the highest diffusivity of CO2 in brine thereby, suggesting saline aquifers with Ca ion as the best choice for CO2 sequestration.

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Aliu O, Sakidin H, Foroozesh J, Sikiru S. Determination of CO₂diffusivity in subsurface systems using molecular dynamics simulation. In Ibrahim SNI, Ibrahim NA, Ismail F, Lee LS, Leong WJ, Midi H, Wahi N, editors, Proceedings of the 27th National Symposium on Mathematical Sciences, SKSM 2019. American Institute of Physics Inc. 2020. 050014. (AIP Conference Proceedings). doi: 10.1063/5.0018070

Determination of CO2 diffusivity in subsurface systems using molecular dynamics simulation