183 citations · 557 across the 61 of their papers we have counts for
4 papers · 2 filters
Water Boiling inside Carbon Nanotubes: Towards Efficient Drug Release
Vitaly V. Chaban, Oleg V. Prezhdo
We show using molecular dynamics simulation that spatial confinement of water inside carbon nanotubes (CNT) substantially increases its boiling temperature and that a small tempera…
A New Model of Chemical Bonding in Ionic Melts
Vitaly V. Chaban, Yuriy V. Pereverzev, Oleg V. Prezhdo
We developed a new physical model to predict macroscopic properties of inorganic molten systems using a realistic description of inter-atomic interactions. Unlike the conventional…
Confinement by Carbon Nanotubes Drastically Alters the Boiling and Critical Behavior of Water Droplets
Vitaly V. Chaban, Victor V. Prezhdo, Oleg V. Prezhdo
Vapor pressure grows rapidly above the boiling temperature, and past the critical point liquid droplets disintegrate. Our atomistic simulations show that this sequence of events is…
Acetonitrile Drastically Boosts Conductivity of Ionic Liquids
Vitaly V. Chaban, Iuliia V. Voroshylova, Oleg N. Kalugin +1
We apply a new methodology in the force field generation (PCCP 2011, 13, 7910) to study the binary mixtures of five imidazolium-based room-temperature ionic liquids (RTILs) with ac…