Spohr, Eckhard:
Molecular Dynamics Simulation Studies of the Density Proles of CF1 Water between (9-3) Lennard-Jones Walls
1997
In: Journal of chemical physics, Jg. 106 (1997), Heft 1, S. 388 - 391
Artikel/Aufsatz in Zeitschrift1997Chemie
Fakultät für Chemie
Titel:
Molecular Dynamics Simulation Studies of the Density Proles of CF1 Water between (9-3) Lennard-Jones Walls
Autor(in):
Spohr, EckhardLSF
Erscheinungsjahr
1997
WWW URL
Erschienen in:
Titel:
Journal of chemical physics
in:
Jg. 106 (1997), Heft 1, S. 388 - 391
ISSN:
ISSN:
Signatur der UB

Abstract:

The results of molecular dynamics computer simulations of water laminae confined between two (9-3) Lennard-Jones walls are reported. The interaction potential is identical to the one used in a recent singlet integral equation study [M. J. Booth, D.-M. Duh, and A. D. J. Haymet, J. Chem. Phys. 101, 7925 (1994)]. In the simulation studies the internal pressure, system size, and the treatment of long-range Coulomb interactions has been varied. Large density oscillations similar to the integral equation results have not been observed. Simulated pair correlation functions are found to exhibit only little anisotropy near the interface.