Canonical partition function and distance dependent correlation functions of a quasi-one-dimensional system of hard disks

Pergamenshchik, V. M.; Bryk, Taras; Trokhymchuk, Andrij

doi:10.1016/j.molliq.2023.122572

Cited by 3 publications

(1 citation statement)

References 22 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The latter method is only applicable to fluids confined in a 2D-slit with periodic boundary conditions perpendicular to the confining boundary. [33][34][35] A more systematic approach is the use of standard viral expansions (see, e.g., Refs. 30 and 36-39), which, however, are only valid for low densities.…”

Section: Introductionmentioning

confidence: 99%

Thermodynamic properties of quasi-one-dimensional fluids

Franosch,

Schilling

2024

The Journal of Chemical Physics

View full text Add to dashboard Cite

We calculate thermodynamic and structural quantities of a fluid of hard spheres of diameter σ in a quasi-one-dimensional pore with accessible pore width W smaller than σ by applying a perturbative method worked out earlier for a confined fluid in a slit pore [Franosch et al. Phys. Rev. Lett. 109, 240601 (2012)]. In a first step, we prove that the thermodynamic and a certain class of structural quantities of the hard-sphere fluid in the pore can be obtained from a purely one-dimensional fluid of rods of length σ with a central hard core of size σW=σ2−W2 and a soft part at both ends of length (σ − σW)/2. These rods interact via effective k-body potentials veff(k) (k ≥ 2). The two- and the three-body potential will be calculated explicitly. In a second step, the free energy of this effective one-dimensional fluid is calculated up to leading order in (W/σ)2. Explicit results for, e.g., the perpendicular pressure, surface tension, and the density profile as a function of density, temperature, and pore width are presented and partly compared with results from Monte-Carlo simulations and standard virial expansions. Despite the perturbative character of our approach, it encompasses the singularity of the thermodynamic quantities at the jamming transition point.

show abstract

Section: Introductionmentioning

confidence: 99%