Ab initio molecular dynamics study of the interlayer and micropore structure of aqueous montmorillonite clays
<p>Ab initio molecular dynamics simulations have been performed to gain an understanding of the interfacial microscopic structure and reactivity of fully hydrated clay edges. The models studied include both micropore and interlayer water. We identify acidic sites through dissociation mechanism...
Saved in:
| Main Author: | |
|---|---|
| Other Authors: | , , |
| Published: |
2015
|
| Subjects: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|