Journal article
Modeling nanoscale hydrodynamics by smoothed dissipative particle dynamics
The Journal of chemical physics, Vol.142(19), pp.194504-194504
05/21/2015
Handle:
https://hdl.handle.net/2376/105391
PMID: 26001466
Abstract
Thermal fluctuation and hydrophobicity are two hallmarks of fluid hydrodynamics on the nano-scale. It is a challenge to consistently couple the small length and time scale phenomena associated with molecular interaction with larger scale phenomena. The development of this consistency is the essence of mesoscale science. In this study, we use a nanoscale fluid model based on smoothed dissipative particle dynamics that accounts for the phenomena associated with density fluctuations and hydrophobicity. We show consistency in the fluctuation spectrum across scales. In doing so, it is necessary to account for finite fluid particle size. Furthermore, we demonstrate that the present model can capture the void probability and solvation free energy of nonpolar hard particles of different sizes. The present fluid model is well suited for an understanding of emergent phenomena in nano-scale fluid systems.
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Details
- Title
- Modeling nanoscale hydrodynamics by smoothed dissipative particle dynamics
- Creators
- Huan Lei - Pacific Northwest National Laboratory, Richland, Washington 99352, USAChristopher J Mundy - Pacific Northwest National Laboratory, Richland, Washington 99352, USAGregory K Schenter - Pacific Northwest National Laboratory, Richland, Washington 99352, USANikolaos K Voulgarakis - Department of Mathematics, Washington State University, Richland, Washington 99372, USA
- Publication Details
- The Journal of chemical physics, Vol.142(19), pp.194504-194504
- Academic Unit
- Mathematics and Statistics, Department of
- Publisher
- United States
- Identifiers
- 99900547078301842
- Language
- English
- Resource Type
- Journal article