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Название: Replica Density Functional Study of One-Dimensional Hard Core Fluids in Porous Media
Авторы: Reich H., Schmidt M.
A binary quenched-annealed hard core mixture is considered in one dimension in order to model ﬂuid adsorbates in narrow channels ﬁlled with a random matrix. Two different density functional approaches are employed to calculate adsorbate bulk properties and interface structure at matrix surfaces. The ﬁrst approach uses Percus’ functional for the annealed component and an explicit averaging over matrix conﬁgurations; this provides numerically exact results for the bulk partition coefﬁcient and for inhomogeneous density proﬁles. The second approach is based on a quenched-annealed density functional whose results we ﬁnd to approximate very well those of the former over the full range of possible densities. Furthermore we give a derivation of the underlying replica density functional theory