Molecular Conductance from a Curved Surface through a Cylindrical Hole by Monte Carlo Methods

Abstract

The fraction of molecules that vaporize from a surface and escape through a cylindrical hole to a condenser (escape probability) has been calculated by Monte Carlo methods for the case of hemispherical (concave and convex) and flat surfaces. The results for vaporization from the flat surface are in agreement with results predicted by the Clausing factor. The effect of condensation coefficients has also been investigated. A semiempirical equation of adjustable parameters was developed which represents the escape probabilities as a function of the length-to-radius ratio (L / R) and the condensation coefficient (α).

New Model for Liquid Evaporation and Vapor Transport in Nanopores Covering the Entire Knudsen Regime and Arbitrary Pore Length

“…Researchers have developed models which highlighted the liquid interface shape and evaporation kinetics. , Our model, on the other hand, delves into the vapor transport resistance in micro/nanopores under different flow regimes. The assumptions made in developing the present model include the following: Vapor in micro/nanopores can be treated as an ideal gas. The interaction between vapor molecules and a solid wall is fully diffusive. Molecules leaving the liquid surface follows the “cosine law” distribution of angles The flow inside micro/nanopores is isothermal. There is no external force exerted on the liquid–vapor phase-change system. Noncondensable gases are absent in the two-phase system. …”

Tortuosity based on Anisotropic Diffusion Process in Structured Plate-like Obstacles by Monte Carlo Simulation

“…Of the several methods of computer simulation, Monte Carlo approach has been a favorable choice for elucidating migration cased by random walk in porous media T. Ohkubo (B) Japan Atomic Energy Agency (JAEA), 4-33 Muramatsu, Tokai-mura, Naka-gun, Ibaraki-ken 319-1194, Japan e-mail: ohkubo.takahiro@jaea.go.jp with meso-scopic space (Sandry and Stevenson 1970;Riley et al 1995;Pandey et al 1984). For example, the Monte Carlo simulation has been utilized to simulate the diffusion of gas molecules in zeolite (Theodorou and Wei 1983) and complex porous media (Zalc et al 2003) Trinh et al have also indicated that the diffusion coefficient calculated by the Monte Carlo method agreed reasonably well with experimental results (Trinh et al 2000).…”

A mathematical model for heterogeneous reactions with a moving boundary

“…Nonetheless, the results are likely to show certain general trends that one might expect for such systems. However, in comparing between model predictions and experimental data, some of these parameters can be evaluated from empirical formulae presented in the literature (Sandry and Stevenson, 1970;Abbasi and Evans, 1983). Since these correlations are not applicable for all cases, the porosity (t') and tortuosities may be considered as adjustable parameters.…”