Low temperature adsorption of CO2 in carbonaceous wedge pores: a Monte Carlo simulation study

Abstract A systematic study of carbon dioxide in wedge pores under subcritical conditions were conducted with Grand Canonical Monte Carlo simulation. The effects various factors: temperature, pore geometry (i.e., width, length, tilt angle and corrugation), on the formation stepwise isotherms, particularly investigated. occurrence this step-wise adsorption behaviour is correlated to alternate packing between commensurate incommensurate along axis direction. steps faded due adsorbates are less structured gradually receded mainly from wide end where weakest potential exerted fluids. number desorption branch depends junctions domains formed. particles accumulating at narrow open play a role analogy closed end. Moreover, having corrugation interior solid surface also results different mechanisms illustrated change actual size distribution interference force field inside pore.