Mesoscale properties of clay aggregates from potential of mean force representation of interactions between nanoplatelets
Face-to-face and edge-to-edge free energy interactions of Wyoming Na-montmorillonite platelets were studied by calculating potential of mean force along their center to center reaction coordinate using explicit solvent (i.e., water) molecular dynamics and free energy perturbation methods. Using a se...
| Main Authors: | , , |
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| Other Authors: | |
| Format: | Article |
| Language: | en_US |
| Published: |
American Institute of Physics (AIP)
2015
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| Online Access: | http://hdl.handle.net/1721.1/92760 https://orcid.org/0000-0001-5358-4140 https://orcid.org/0000-0001-5559-4190 https://orcid.org/0000-0001-9898-7023 |