arXiv subjects

F. Forstmann

Publications and source records attributed to F. Forstmann.

2 recordsLinked to original sources

arXiv1999

Interfacial tension behavior of binary and ternary mixtures of partially miscible Lennard-Jones fluids: a molecular dynamics simulation

By means of extensive equilibrium molecular dynamics simulations we have investigated, the behavior of the interfacial tension $γ$ of two immiscible symmetrical Lennard-Jones fluids. This quantity is studied as function of reduced temperature $T^{*}={{k_{_B} T}\over ε}$ in the range $0.6 \leq T^{*} \leq 3.0$. We find that, unlike the monotonic decay obtained for the liquid-vapor interfacial tension, for the liquid-liquid interface, $γ(T)$ has a maximum at a specific temperature. We also investigate the effect that surfactant-like particles has on the thermodynamic as well as the structural properties of the liquid-liquid interface. It is found that $γ$ decays monotonically as the concentration of the surfactant-like particles increases.

cond-mat.stat-mech↗

arXiv1995

Integral equation theory for the electrode-electrolyte interface with the central force water model. Results for an aqueous solution of sodium chloride

The structure of an aqueous solution of sodium chloride at a planar electrode is investigated by integral equation techniques. With the central force water model the aqueous electrolyte is modelled as a mixture of sodium and chloride ions and partially charged hydrogen and oxygen atoms interacting via effective spherically symmetric pair potentials. The bulk correlation functions are obtained from the Ornstein-Zernike equation. With the Wertheim-Lovett-Mou-Buff equation we have calculated the density profiles at the uncharged and charged electrode. Steric interactions between the differently sized ions and the ice-like water structure near the electrode dominates the ionic distribution. This model electrolyte also responds differently to opposite charges on the electrode.

chem-ph↗