Journal
LANGMUIR
Volume 28, Issue 49, Pages 16855-16863Publisher
AMER CHEMICAL SOC
DOI: 10.1021/la302997g
Keywords
-
Funding
- National Science Foundation through TeraGrid
- TACC [TG-DMR100028]
- Singapore-MIT Alliance for Research and Technology (SMART)
Ask authors/readers for more resources
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.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available