Paper Citing NAMD - Abstract
Katti, D. R.; Katti, K. S.; Amarasinghe, P.; Pradhan, S.
Interlayer Fluid Flow and the Role of Clay-Fluid Molecular Interactions on the Swelling Behavior of Montmorillonite Clays
PORO-MECHANICS IV, 836-841, 2009
The understanding and modeling of clay-fluid molecular interactions and modeling of fluid transport mechanisms and the evaluation of flow properties in the interlayer of smectite clays is the topic of this paper. This fundamental understanding of mechanisms has tremendous impact in geotechnical engineering, environmental engineering, petroleum engineering and pharmaceutical sciences. This study uses Molecular Dynamics modeling, Polarized Fourier Transform Infrared (FTIR) spectroscopy and X-Ray Diffraction (XRD) techniques. The combined experimental and modeling techniques used in this study provide an insight into fluid flow behavior at molecular scale in the proximity of clay and mechanisms leading to swelling of Na-montmorillonite.
