Show simple item record

dc.contributor.authorChoudhary, Nilesh
dc.contributor.authorNair, Arun Kumar Narayanan
dc.contributor.authorChe Ruslan, Mohd Fuad Anwari
dc.contributor.authorSun, Shuyu
dc.date.accessioned2020-01-01T12:23:44Z
dc.date.available2020-01-01T12:23:44Z
dc.date.issued2019-12-24
dc.identifier.citationChoudhary, N., Narayanan Nair, A. K., Che Ruslan, M. F. A., & Sun, S. (2019). Bulk and interfacial properties of decane in the presence of carbon dioxide, methane, and their mixture. Scientific Reports, 9(1). doi:10.1038/s41598-019-56378-y
dc.identifier.doi10.1038/s41598-019-56378-y
dc.identifier.urihttp://hdl.handle.net/10754/660905
dc.description.abstractMolecular dynamics simulations were performed to study the bulk and interfacial properties of methane + n-decane, carbon dioxide + n-decane, and methane + carbon dioxide + n-decane systems under geological conditions. In addition, theoretical calculations using the predictive Peng-Robinson equation of state and density gradient theory are carried out to compare with the simulation data. A key finding is the preferential dissolution in the decane-rich phase and adsorption at the interface for carbon dioxide from the methane/carbon dioxide mixture. In general, both the gas solubility and the swelling factor increase with increasing pressure and decreasing temperature. Interestingly, the methane solubility and the swelling of the methane + n-decane system are not strongly influenced by temperature. Our results also show that the presence of methane increases the interfacial tension (IFT) of the carbon dioxide + n-decane system. Typically, the IFT of the studied systems decreases with increasing pressure and temperature. The relatively higher surface excess of the carbon dioxide + n-decane system results in a steeper decrease in its IFT as a function of pressure. Such systematic investigations may help to understand the behavior of the carbon dioxide-oil system in the presence of impurities such as methane for the design and operation of carbon capture and storage and enhanced oil recovery processes.
dc.description.sponsorshipThis publication is partly based upon work supported by the KAUST Office of Sponsored Research (OSR) under Award No. 2993. N.C., M.F.A.C.R., and A.K.N.N. would like to thank computational support from KAUST.
dc.publisherSpringer Nature
dc.relation.urlhttp://www.nature.com/articles/s41598-019-56378-y
dc.relation.urlhttps://www.nature.com/articles/s41598-019-56378-y.pdf
dc.rightsThis article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. Te images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder.
dc.rights.urihttps://creativecommons.org/licenses/by/4.0
dc.titleBulk and interfacial properties of decane in the presence of carbon dioxide, methane, and their mixture.
dc.typeArticle
dc.contributor.departmentComputational Transport Phenomena Lab
dc.contributor.departmentEarth Science and Engineering Program
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalScientific reports
dc.eprint.versionPublisher's Version/PDF
kaust.personChoudhary, Nilesh
kaust.personNair, Arun Kumar Narayanan
kaust.personChe Ruslan, Mohd Fuad Anwari
kaust.personSun, Shuyu
kaust.grant.numberAward No. 2993. N.C.
refterms.dateFOA2020-01-01T12:25:23Z
kaust.acknowledged.supportUnitKAUST Office of Sponsored Research (OSR)
dc.date.published-online2019-12-24
dc.date.published-print2019-12


Files in this item

Thumbnail
Name:
Articlefile1.pdf
Size:
1.654Mb
Format:
PDF
Description:
Publisher's Version/PDF

This item appears in the following Collection(s)

Show simple item record

This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. Te images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder.
Except where otherwise noted, this item's license is described as This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. Te images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder.