Molecular gas dynamics approaches to interfacial phenomena accompanied with condensation

Effect of interfacial phenomena on dewetting in dropwise condensation.

Image-analyzing interferometry was used to investigate the dynamics of the dewetting meniscus of a partially wetting fluid on a modified quartz surface during dropwise condensation. The vivid difference in the behavior of the retracting meniscus with respect to its variation in apparent contact angle and curvature after the merger of the drop with the meniscus was found to depend on the wettabi...

Robust simulation of nonclassical gas - dynamics phenomena

A computational study of the occurrence of rarefaction shock-wave (RSW) in a dense gas shock-tube is presented. The approach is based on the characterization of experimental variability and uncertainties in the thermodynamic properties of the fluid to investigate the realizability and reproducibility of a RSW in the FAST shock-tube at Delft University of Technology. The weakness of the RSW make...

Boundary value approaches to molecular dynamics simulation

Determining the relationships between a protein’s structure and its function, identifying a protein’s function in biological systems, and understanding the mechanisms that facilitate a protein’s function are major scientific challenges in modern biological research. The mechanisms that facilitate protein function often involve conformational transitions of proteins or other biomolecules. Succes...

New approaches to neglected phenomena

Molecular Dynamics Simulation of Supercritical Spray Phenomena

Results showed that the way the fluid-wall interaction is modeled in molecular dynamics simulations has a strong effect on the resultant simulation of liquid injection into a gas. It was found that modeling the wall as individual atoms (atomistic model) interacting with the fluid resulted in the fluid remaining in an injection tube absent any pressure or body force to force it into a gaseous re...