Location of CO₂ on silicalite-1 zeolite using a single-crystal X-ray method

Abstract

Abstract The location of physisorbed CO 2 molecules on silicalite-1 zeolite (MFI-type) is determined using a single-crystal X-ray method. There are four sorption sites for CO 2 molecules in the three-dimensional channel system of the silicalite-1. Two of them are in the straight channel in disorder (STR1 and STR2), while the other sites are in the sinusoidal channel (SIN) and at the intersection (INT). Their occupancy factors indicate that a large portion of the CO 2 molecules are located in the straight channel. It is also revealed that the straight channel is the most favorable for CO 2 molecules as sorption sites.