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Adsorption of argon at 87K in a linear array of slit mesopores composed of two cavities and three necks has been investigated using Grand Canonical Monte Carlo simulation. Hysteresis and scanning was found to depend on the relative size of the necks and cavities and on whether the necks are wider or narrower than the critical width that demarcates cavitation from pore blocking. There are 26 possible...
We have carried out comprehensive GCMC molecular simulations to study the effects of temperature (ranging from sub-critical to supercritical), cavity and neck dimensions, and adsorbate on the transition from pore blocking to cavitation in slit shaped ink-bottle pores. Varying these parameters affects, not only the position and the size of the hysteresis loop, but also its shape, which can change from...
Bin grand canonical Monte Carlo simulations have been carried out to study adsorption–desorption of argon at 87.3 K in a model ink-bottle mesoporous solid in order to investigate the interplay between the pore blocking process, controlled by the evaporation through the pore mouth via the meniscus separating the adsorbate and the bulk gas surroundings, and the cavitation process, governed by the instability...
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