title: Temperature dependence of the evaporation lengthscale for water confined between two hydrophobic plates.
abstract: Liquid water in a hydrophobic confinement is the object of high interest in physicochemical sciences. Confined between two macroscopic hydrophobic surfaces, liquid water transforms into vapor if the distance between surfaces is smaller than a critical separation, referred to as the evaporation lengthscale. To investigate the temperature dependence of the evaporation lengthscale of water confined between two hydrophobic parallel plates, we use the combination of the density functional theory (DFT) with the probabilistic hydrogen bond (PHB) model for water-water hydrogen bonding. The PHB model provides an analytic expression for the average number of hydrogen bonds per water molecule as a function of its distance to a hydrophobic surface and its curvature. Knowing this expression, one can implement the effect of hydrogen bonding between water molecules on their interaction with the hydrophobe into DFT, which is then employed to determine the distribution of water molecules between two macroscopic hydrophobic plates at various interplate distances and various temperatures. For water confined between hydrophobic plates, our results suggest the evaporation lengthscale to be of the order of several nanometers and a linearly increasing function of temperature from T=293 K to T=333 K, qualitatively consistent with previous results.
authors.affiliation: Department of Chemical and Biological Engineering, SUNY at Buffalo, Buffalo, NY 14260, United States. Electronic address: idjikaev@buffalo.edu.
authors.forename: Yuri S
authors.initials: YS
authors.lastname: Djikaev
authors.affiliation: Department of Chemical and Biological Engineering, SUNY at Buffalo, Buffalo, NY 14260, United States. Electronic address: feaeliru@buffalo.edu.
authors.forename: Eli
authors.initials: E
authors.lastname: Ruckenstein
keywords: Confined liquid water; Density functional theory; Density profiles; Evaporation lengthscale; Hydrophobic hydration; Hydrophobic interactions; Hydrophobic plates; Temperature effect; Water hydrogen bonding