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Title: Chemo-mechanical coupling in kerogen gas adsorption/desorption

Abstract

We report that kerogen plays a central role in hydrocarbon generation in an oil/gas reservoir. In a subsurface environment, kerogen is constantly subjected to stress confinement or relaxation. The interplay between mechanical deformation and gas adsorption of the materials could be an important process for shale gas production but unfortunately is poorly understood. Using a hybrid Monte Carlo/molecular dynamics simulation, we show here that a strong chemo-mechanical coupling may exist between gas adsorption and mechanical strain of a kerogen matrix. The results indicate that the kerogen volume can expand by up to 5.4% and 11% upon CH 4 and CO 2 adsorption at 192 atm, respectively. The kerogen volume increases with gas pressure and eventually approaches a plateau as the kerogen becomes saturated. The volume expansion appears to quadratically increase with the amount of gas adsorbed, indicating a critical role of the surface layer of gas adsorbed in the bulk strain of the material. Furthermore, gas uptake is greatly enhanced by kerogen swelling. Swelling also increases the surface area, porosity, and pore size of kerogen. Here, our results illustrate the dynamic nature of kerogen, thus questioning the validity of the current assumption of a rigid kerogen molecular structure in themore » estimation of gas-in-place for a shale gas reservoir or gas storage capacity for subsurface carbon sequestration. The coupling between gas adsorption and kerogen matrix deformation should be taken into consideration.« less

Authors:
ORCiD logo [1];  [1];  [1]
  1. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Publication Date:
Research Org.:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1485833
Report Number(s):
SAND-2018-2806J
Journal ID: ISSN 1463-9076; PPCPFQ; 670189
Grant/Contract Number:  
AC04-94AL85000; NA0003525
Resource Type:
Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics. PCCP (Print)
Additional Journal Information:
Journal Name: Physical Chemistry Chemical Physics. PCCP (Print); Journal Volume: 20; Journal Issue: 18; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 58 GEOSCIENCES

Citation Formats

Ho, Tuan Anh, Wang, Yifeng, and Criscenti, Louise J. Chemo-mechanical coupling in kerogen gas adsorption/desorption. United States: N. p., 2018. Web. doi:10.1039/C8CP01068D.
Ho, Tuan Anh, Wang, Yifeng, & Criscenti, Louise J. Chemo-mechanical coupling in kerogen gas adsorption/desorption. United States. doi:10.1039/C8CP01068D.
Ho, Tuan Anh, Wang, Yifeng, and Criscenti, Louise J. Thu . "Chemo-mechanical coupling in kerogen gas adsorption/desorption". United States. doi:10.1039/C8CP01068D. https://www.osti.gov/servlets/purl/1485833.
@article{osti_1485833,
title = {Chemo-mechanical coupling in kerogen gas adsorption/desorption},
author = {Ho, Tuan Anh and Wang, Yifeng and Criscenti, Louise J.},
abstractNote = {We report that kerogen plays a central role in hydrocarbon generation in an oil/gas reservoir. In a subsurface environment, kerogen is constantly subjected to stress confinement or relaxation. The interplay between mechanical deformation and gas adsorption of the materials could be an important process for shale gas production but unfortunately is poorly understood. Using a hybrid Monte Carlo/molecular dynamics simulation, we show here that a strong chemo-mechanical coupling may exist between gas adsorption and mechanical strain of a kerogen matrix. The results indicate that the kerogen volume can expand by up to 5.4% and 11% upon CH4 and CO2 adsorption at 192 atm, respectively. The kerogen volume increases with gas pressure and eventually approaches a plateau as the kerogen becomes saturated. The volume expansion appears to quadratically increase with the amount of gas adsorbed, indicating a critical role of the surface layer of gas adsorbed in the bulk strain of the material. Furthermore, gas uptake is greatly enhanced by kerogen swelling. Swelling also increases the surface area, porosity, and pore size of kerogen. Here, our results illustrate the dynamic nature of kerogen, thus questioning the validity of the current assumption of a rigid kerogen molecular structure in the estimation of gas-in-place for a shale gas reservoir or gas storage capacity for subsurface carbon sequestration. The coupling between gas adsorption and kerogen matrix deformation should be taken into consideration.},
doi = {10.1039/C8CP01068D},
journal = {Physical Chemistry Chemical Physics. PCCP (Print)},
number = 18,
volume = 20,
place = {United States},
year = {2018},
month = {3}
}

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Cited by: 4 works
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Works referenced in this record:

Vapor�liquid equilibria of mixtures containing alkanes, carbon dioxide, and nitrogen
journal, July 2001

  • Potoff, Jeffrey J.; Siepmann, J. Ilja
  • AIChE Journal, Vol. 47, Issue 7, p. 1676-1682
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