Aspects of sorption and phase behavior of near-critical fluids confined to mesoporous media.

Beitrag in einer Fachzeitschrift

Details zur Publikation

Autorinnen und Autoren: Thommes M
Zeitschrift: Journal of Chemical Physics
Verlag: American Institute of Physics
Jahr der Veröffentlichung: 1997
Band: 107
Heftnummer: 8
Seitenbereich: 3262-3266-3266
ISSN: 0021-9606
eISSN: 1089-7690


The local structure of a Lennard-Jones fluid confined to a mesoscopic slit-pore with structureless (i.e., "smooth") walls is investigated by computing the local d. ρ(z) in grand canonical ensemble Monte Carlo (GCEMC) simulations. For noncrit. thermodn. states of a corresponding bulk fluid, a homogeneous core region exists in the pore characterized by the bulk d. ρbulk. Sufficiently close to the bulk crit. point, however, the core is depleted, that is its local d. ρcore(z) is less than ρbulk. Along a bulk near-crit. isotherm T* = 1.36 ≃ T*c,bulk GCEMC data are analyzed in terms of the equations of state μbulk = μ(ρbulk,Tc,bulk) and μcore = μ(̅ρmid, Tc,bulk), resp., where ̅ρmid is the av. midpoint d. of the core fluid. At densities sufficiently above and below the bulk crit. d. thermodn. states of core and bulk are the same, i.e. μbulk = μcore. However, if depletion is obsd. the d. dependence of μbulk and μcore is generally different. By applying a mean-field theory to μbulk and μcore depletion is related to a reduced degree of criticality of the core fluid compared with the bulk phase in a self-contained way. [on SciFinder(R)]

FAU-Autorinnen und Autoren / FAU-Herausgeberinnen und Herausgeber

Thommes, Matthias Prof. Dr.
Lehrstuhl für Thermische Verfahrenstechnik

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