Schroeder-Turk, Gerd
Title: Hard Sphere Liquids in Complex Pores
Author: G.E. Schroeder-Turk, S. Kuczera, R. Roth and K. Mecke
Affiliation: Institut für Theoretische Physik I, Universität Erlangen-Nürnberg, Germany
Abstract:
The thermodynamic properties of fluids confined in topologically and geometrically complex pores depend on the shape of the confining geometry. Here we use grand-canonical Monte Carlo simulation to compute equilibrium densities η of a hard sphere fluid confined to pores given by triply-periodic minimal and constant-mean-curvature surfaces, sufficiently far from the fluid's critical point. We show that the MC simulation results and DFT results are in agreement with a morphometric theory which assumes that thermodynamic potentials are additive w.r.t. the pore shape and can hence be expressed as a linear combination of volume, interface area, integrated mean curvature and Euler index of the pore.
Author: G.E. Schroeder-Turk, S. Kuczera, R. Roth and K. Mecke
Affiliation: Institut für Theoretische Physik I, Universität Erlangen-Nürnberg, Germany
Abstract:
The thermodynamic properties of fluids confined in topologically and geometrically complex pores depend on the shape of the confining geometry. Here we use grand-canonical Monte Carlo simulation to compute equilibrium densities η of a hard sphere fluid confined to pores given by triply-periodic minimal and constant-mean-curvature surfaces, sufficiently far from the fluid's critical point. We show that the MC simulation results and DFT results are in agreement with a morphometric theory which assumes that thermodynamic potentials are additive w.r.t. the pore shape and can hence be expressed as a linear combination of volume, interface area, integrated mean curvature and Euler index of the pore.