Line adsorption in a mean-field density-functional model.

Koga, K.; Widom, B.

Recent ideas about the analogue for a three-phase contact line of the Gibbs adsorption equation for interfaces are illustrated in a mean-field density-functional model. With d τ the infinitesimal change in the line tension τ that accompanies the infinitesimal changes dμi in the thermodynamic field variables μi and with Λi the line adsorptions, the sum [image omitted], unlike its surface analogue, is not 0. An equivalent of this sum in the model system is evaluated numerically and analytically. A general line adsorption equation, which the model results illustrate, is derived.

DENSITY functionals; GIBBS phenomenon; STOCHASTIC convergence; INTERFACES (Physical sciences); SURFACE chemistry

Molecular Physics, 2006, Vol 104, Issue 22-24, p3469

0026-8976

Academic Journal

10.1080/00268970600958574