Molecular Dynamics Simulation Studies of the Density Proles of CF1 Water between (9-3) Lennard-Jones Walls
In: The Journal of Chemical Physics (JCP), Vol. 106 (1997), No. 1, pp. 388 - 391
Title:
Molecular Dynamics Simulation Studies of the Density Proles of CF1 Water between (9-3) Lennard-Jones Walls
Author:
Spohr, EckhardUDE
- GND
- 143257005
- LSF ID
- 49123
- ORCID
-
0000-0001-8148-7575
- Other
- connected with university
Year of publication:
1997
Appears in
Title in English (abbreviated):
J. Chem. Phys.
Place of publication:
Melville
Publisher:
American Institute of Physics (AIP)
in:
Vol. 106 (1997), No. 1, pp. 388 - 391
ISSN
ISSN
ZDB ID
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.