Condensation Phenomena in Nano-Pores - a Monte Carlo Study

TL;DR

This study uses Monte Carlo simulations to explore condensation dynamics in nano-pores, revealing hysteresis, phase separation behavior, and effects of pore geometry and wall characteristics on domain growth.

Contribution

It provides new insights into how pore shape and wall properties influence condensation and phase separation in nano-scale pores through computational modeling.

Findings

Hysteresis loops depend on pore geometry.

Particle evaporation follows stretched exponential decay.

Wall roughness delays pure domain growth.

Abstract

The non-equilibrium dynamics of condensation phenomena in nano-pores is studied via Monte Carlo simulation of a lattice gas model. Hysteretic behavior of the particle density as a function of the density of a reservoir is obtained for various pore geometries in two and three dimensions. The shape of the hysteresis loops depend on the characteristics of the pore geometry. The evaporation of particles from a pore can be fitted to a stretched exponential decay of the particle density $\rho_f(t) \sim exp [ -(t/\tau)^\beta]$. Phase separation dynamics inside the pore is effectively described by a random walk of the non-wetting phases. Domain evolution is significantly slowed down in presence of random wall-particle potential and gives rise to a temperature dependent growth exponent. On the other hand roughness of the pore wall only delays the onset of a pure domain growth.