Dresden 2017 – wissenschaftliches Programm
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DY: Fachverband Dynamik und Statistische Physik
DY 55: Posters - Soft Matter, Glasses
DY 55.5: Poster
Donnerstag, 23. März 2017, 17:00–19:30, P1A
Phase behavior of a confined classical Heisenberg fluid — •Stefanie Maria Wandrei1, Martin Schoen1,2, and Keith E. Gubbins2 — 1Technische Universität, Berlin, Deutschland — 2North Carolina State University, Raleigh, USA
In this work we employ classical density functional theory (DFT) to investigate equilibrium properties of a Heisenberg fluid confined to nanoscopic slit pores of variable width. Within DFT pair correlations are treated at modified mean-field level. We consider three types of walls: hard ones, where the fluid-wall potential becomes infinite upon molecular contact but vanishes otherwise, and hard walls with superimposed short-range attraction with and without explicit orientation dependence.
If the walls are hard or attractive without specific anchoring the results are “quasi-bulk”-like in that they can be linked to a confinement-induced reduction of the bulk mean field. In these cases the precise nature of the walls is completely irrelevant at coexistence. Only for specific anchoring nontrivial features arise, because then the fluid-wall interaction potential affects the orientation distribution function in a nontrivial way, and thus appears explicitly in the Euler-Lagrange equations to be solved for minima of the grand potential of coexisting phases.