Nano-Scale Elastic Properties Due to Montmorillonite Water Adsorption
Author(s)
Ebrahimi, Davoud; Pellenq, Roland Jm; Whittle, Andrew
DownloadEbrahimi et al - Langmuir2012.pdf (692.6Kb)
PUBLISHER_POLICY
Publisher Policy
Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use.
Alternative title
Nanoscale Elastic Properties of Montmorillonite upon Water Adsorption
Terms of use
Metadata
Show full item recordAbstract
Smectites are an important group of clay minerals that experience swelling upon water adsorption. This paper uses molecular dynamics with the CLAYFF force field to simulate isothermal isobaric water adsorption of interlayer Wyoming Na-montmorillonite, a member of the smectite group. Nanoscale elastic properties of the clay–interlayer water system are calculated from the potential energy of the model system. The transverse isotropic symmetry of the elastic constant matrix was assessed by calculating Euclidean and Riemannian distance metrics. Simulated elastic constants of the clay mineral are compared with available results from acoustic and nanoindentation measurements.
Date issued
2012-11Department
Massachusetts Institute of Technology. Department of Civil and Environmental EngineeringJournal
Langmuir
Publisher
American Chemical Society (ACS)
Citation
Ebrahimi, Davoud, Roland J.-M. Pellenq, and Andrew J. Whittle. “Nanoscale Elastic Properties of Montmorillonite Upon Water Adsorption.” Langmuir 28, no. 49 (December 11, 2012): 16855–16863
Version: Author's final manuscript
ISSN
0743-7463
1520-5827