We examine the effect of different model potential parameters on several structural and dynamical properties of a liquid -liquid (L/L) interface by molecular dynamics (MD) simulations. Additionally, the influence of the particle masses is explored. The L/L system consists of two-model Lennard -Jones
A molecular dynamics study of a liquid–liquid interface: structure and dynamics
✍ Scribed by Jörn B. Buhn; Philippe A. Bopp; Manfred J. Hampe
- Book ID
- 108131894
- Publisher
- Elsevier Science
- Year
- 2004
- Tongue
- English
- Weight
- 388 KB
- Volume
- 224
- Category
- Article
- ISSN
- 0378-3812
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
In this paper, we focus on the microscopic structure of the liquid-vapor interface and the effect of impurities such as surfactants or electrolytes in the aqueous solution on interfacial properties. We perform molecular dynamics (MD) simulations of a simple planar interface system and a bubble syste
Molecular dynamics (MD) simulation of liquid carbon dioxide near the triple point is carried out on the CRAY X-MP supercomputer. An empirical intermolecular potential is derived by use of the model proposed recently for carbon disuiphide. In addition, the intramolecular degrees of freedom are introd