SORPTION CAPACITIES OF 3-DIMENSIONAL CRYSTALLINE MICROPOROUS MATERIALS WITH DEFECTS

The effective sorption capacity of crystalline microporous materials with obstructed internal pore networks is calculated. We present Monte Carlo calculations of the sorption capacity of one-, two-, and three-dimensional networks with defects typical of zeolitic materials. Blockages in the windows and main pores lead to a reduction in sorption capacity. Interconnections between the main pores substantially moderate the reduction relative to that of isolated one-dimensional channels. A significant fraction of the micropore capacity, however, is available only below a percolation threshold in blocking probability. Explicit results for various crystallite sizes are presented.