water – Page 5 – TechConnect Briefs

Dissolution of Hydrogen Bonded Polymers in Water: From Synthetic to Biopolymers

Rastogi S., Vinken E., Harings J., Yin J., Terry A., Eindhoven University of Technology, NL

The field of supramolecular materials explores the use of intermolecular, non-covalent bonding to obtain novel self-assembled structures. Self-assembly is a method of spontaneous organisation of molecules into higher order structures ranging from the nano to [...]

Wetting and Hydrophobicity of Nanoscale Systems with Impurities

Gonnet P., Zimmerli U., Walther J.H., Werder T., Koumoutsakos P., ETH Zürich, CH

Molecular dynamics simulations are performed to study the influence of surface and fluid impurities on water-carbon interfaces. In order to quantify these interactions we consider both the canonical problem of wetting of a doped flat [...]

Water-Carbon Interactions: Potential Energy Calibration Using Experimental Data

Werder T., Walther J.H., Jaffe R.l., Koumoutsakos P., NASA Ames Research Center, US

Functionalized carbon nanotubes (CNT) are being studied for use as nanoscale biosensors and water or proton channels. Several molecular dynamics (MD) studies of water in carbon nanotubes have recently been performed to gain further insight [...]

Proton Polarization on Pt Surface with Water Molecules

Yamamoto T., Ohnishi S., Watari N., NEC Fundamental Resreach Labs., JP

We present theoretical studies of atomic and electronic structures calculations of hydrogen at Pt surfaces with H2O molecules by focusing on the mechanism of proton polarization in the fuel cells system by the density functional [...]