This dissertation reports on the computational physics research in the area of
inhomogeneous fluids. I first discuss the theory background for this work beginning
with water, which is important for the two published articles that are presented in
this work (Chapters 5 and 6). Next, I give a brief overview...
We present a modification to our recently published statistical associating fluid theory-based classical
density functional theory for water. We have recently developed and tested a functional for the
averaged radial distribution function at contact of the hard-sphere fluid that is dramatically more accurate
at interfaces than earlier approximations. We now...
We develop a classical density functional for water which combines the White Bear fundamental-measure theory (FMT) functional for the hard sphere fluid with attractive interactions based on the statistical associating fluid theory variable range (SAFT-VR). This functional reproduces the properties of water at both long and short length scales over...