Spohr, Eckhard; Trokhymchuk, Andrij; Henderson, Douglas:

Adsorption of water molecules in slit pores

In: Journal of electroanalytical chemistry : an international journal, devoted also to all physicochemical aspects of fundamental and applied electrochemistry, Jg. 450 (1998) ; Nr. 2, S. 281-287
ISSN: 1572-6657, 0368-1874, 0022-0728
Zeitschriftenaufsatz / Fach: Elektrotechnik
Fakultät für Chemie
We report molecular dynamics (MD) simulations on the adsorption of water in attractive and repulsive slit pores, where the slit and a bulk region are in contact with each other. Water structure, surface force and adsorption behavior are investigated as a function of the overall density in the bulk region. The gas-liquid transition in both types of pores occurs at similar densities of the bulk region.