MOR and 21 contaminants in FAU were taken from the previous force field study, in which the choice of contaminants had been based on earlier experimental work dealing with MORand FAU-type adsorbents. Whereas the previous study considered 21 contaminants in both MOR and FAU, six species for which the Monte Carlo insertion into the pores of MOR either failed entirely or was at least problematic were not included in the present work (see Table ).