Monte Carlo studies of effects of substrate size on watersubstrate interaction energy and water structure Academic Article

abstract

• Water on a planar substrate and on spherical substrates of radii r = 10, 15, and 20 are studied at temperatures of 200, 240, 270, and 290 K by Monte Carlo simulations. The average water-water potential energies and the average water-substrate interaction energies are obtained by use of the single point charge model for the water-water interaction and the nonsingular van der Waals potential plus the Born-type repulsive potential for the water-substrate interaction. Water structure and water-substrate interaction energy are shown to be sensitive to substrate size. 1997 American Institute of Physics.

authors

• Lucchese, Robert
• Marlow, William

published proceedings

• The Journal of Chemical Physics

author list (cited authors)

• Fang, J. X., Marlow, W. H., Lu, J. X., & Lucchese, R. R.

citation count

• 22

complete list of authors

• Fang, JX||Marlow, WH||Lu, JX||Lucchese, RR

publication date

• October 1997

publisher

• AIP Publishing  Publisher

published in

• J Chem Phys  Journal

keywords

• 7 Affordable And Clean Energy

Digital Object Identifier (DOI)

• 10.1063/1.474884

start page

• 5212

end page

• 5216

volume

• 107

issue

• 13

user-defined tag

• 7 Affordable and Clean Energy