Hydrophobic Solvation of Gases (CO2, CH4, H2, Noble Gases) in Clay Interlayer Nanopores
Abstract
In the past few years, experimental studies have shown that CO2 is roughly 5 times more soluble in water-saturated clay interlayer water than in bulk liquid water. The fundamental basis of this selectivity remains unknown, as does its relevance to other gases. Here, we use molecular dynamics (MD) simulations and gravimetric adsorption experiments to determine the solubilities of CO2, CH4, H2, and noble gases in clay interlayer water. Our results confirm that clay minerals, despite their well-known hygroscopic nature, have a significant hydrophobic character at the atomistic scale. The affinity of dissolved gases for the clay surface shows significant variations related to the size and shape of the adsorbing molecules and the structuring of interfacial water by clay surfaces. Our results indicate that dissolved gases likely do not behave as inert tracers in fine-grained sedimentary rocks such as shale and mudstone, as routinely assumed in groundwater hydrology studies. Our results have implications for the fundamental science of hydrophobic adsorption, for the use of dissolved gases as tracers of fluid migration in the subsurface, and for low-carbon energy technologies that rely on fine-grained sedimentary rocks, such as carbon capture and storage, nuclear energy, and the transition from coal to natural gas.
- Authors:
-
[1];
[2];
[2];
[1]
- Princeton Univ., Princeton, NJ (United States)
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Publication Date:
- Research Org.:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Energy Frontier Research Centers (EFRC) (United States). Center for Nanoscale Control of Geologic CO2 (NCGC); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1465055
- Alternate Identifier(s):
- OSTI ID: 1483650
- Grant/Contract Number:
- AC05-00OR22725; AC02-05CH11231
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Physical Chemistry. C
- Additional Journal Information:
- Journal Volume: 121; Journal Issue: 47; Journal ID: ISSN 1932-7447
- Publisher:
- American Chemical Society
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Gadikota, Greeshma, Dazas, Baptiste, Rother, Gernot, Cheshire, Michael C., and Bourg, Ian C. Hydrophobic Solvation of Gases (CO2, CH4, H2, Noble Gases) in Clay Interlayer Nanopores. United States: N. p., 2017.
Web. doi:10.1021/acs.jpcc.7b09768.
Gadikota, Greeshma, Dazas, Baptiste, Rother, Gernot, Cheshire, Michael C., & Bourg, Ian C. Hydrophobic Solvation of Gases (CO2, CH4, H2, Noble Gases) in Clay Interlayer Nanopores. United States. https://doi.org/10.1021/acs.jpcc.7b09768
Gadikota, Greeshma, Dazas, Baptiste, Rother, Gernot, Cheshire, Michael C., and Bourg, Ian C. Wed .
"Hydrophobic Solvation of Gases (CO2, CH4, H2, Noble Gases) in Clay Interlayer Nanopores". United States. https://doi.org/10.1021/acs.jpcc.7b09768. https://www.osti.gov/servlets/purl/1465055.
@article{osti_1465055,
title = {Hydrophobic Solvation of Gases (CO2, CH4, H2, Noble Gases) in Clay Interlayer Nanopores},
author = {Gadikota, Greeshma and Dazas, Baptiste and Rother, Gernot and Cheshire, Michael C. and Bourg, Ian C.},
abstractNote = {In the past few years, experimental studies have shown that CO2 is roughly 5 times more soluble in water-saturated clay interlayer water than in bulk liquid water. The fundamental basis of this selectivity remains unknown, as does its relevance to other gases. Here, we use molecular dynamics (MD) simulations and gravimetric adsorption experiments to determine the solubilities of CO2, CH4, H2, and noble gases in clay interlayer water. Our results confirm that clay minerals, despite their well-known hygroscopic nature, have a significant hydrophobic character at the atomistic scale. The affinity of dissolved gases for the clay surface shows significant variations related to the size and shape of the adsorbing molecules and the structuring of interfacial water by clay surfaces. Our results indicate that dissolved gases likely do not behave as inert tracers in fine-grained sedimentary rocks such as shale and mudstone, as routinely assumed in groundwater hydrology studies. Our results have implications for the fundamental science of hydrophobic adsorption, for the use of dissolved gases as tracers of fluid migration in the subsurface, and for low-carbon energy technologies that rely on fine-grained sedimentary rocks, such as carbon capture and storage, nuclear energy, and the transition from coal to natural gas.},
doi = {10.1021/acs.jpcc.7b09768},
journal = {Journal of Physical Chemistry. C},
number = 47,
volume = 121,
place = {United States},
year = {Wed Nov 01 00:00:00 EDT 2017},
month = {Wed Nov 01 00:00:00 EDT 2017}
}
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