A SAFT-based classical density functional for water

ORAL

Abstract

We present a new classical density functional for water based on a combination of Statistical Associating Fluid Theory (SAFT-VR) with the Fundamental Measure Theory (FMT) functional for the hard-sphere fluid. In the homogeneous limit, our functional reduces to the the published optimal SAFT model of Clark \emph{et al} [1]. By adding a single fitting parameter, we reproduce the bulk surface tension of water within a wide temperature range. We will present results for hydrophobic hard rods and spheres, including the temperature dependence of the hydrophobic interaction. \\[4pt] [1] G. Clak, A. Haslam, A. Galindo, and G. Jackson, Molecular Physics \textbf{104}, 3561 (2006).

Authors

  • David Roundy

    • Oregon State University
  • Jessica Hughes

    • Oregon State University
  • Eric Krebs

    • Oregon State University