FTIR and DFT studies of CO2 adsorption in Na and Li mordenites

ALICIA V. BOIX; RAMIRO M. SERRA; GLAUCIO B. FERREIRA; FELIPE S. VILHENA; JOSÉ WALKIMAR CARNEIRO

Conferencia; 18 th Conferencia Internacional de Zeolite; 2016

Zeolites are natural or synthetic micropourous materials composed of tetrahedral (SiO4) and (AlO4)- unities which are used in a broad range of processes1. The substitution of silicon (Si4+) for aluminium (Al3+) causes a negative charge in the structure which is compensated by the presence of exchangeable ions, such as alkaline and transition metal cations2. Mordenite is a type of zeolite used in the catalysis processes and in the selective adsorption of gases. The framework of mordenites consists of two main channels (12MRz and 8MRz) oriented along the [001] crystallographic axis. These two main channels are connected by pores, often referred to as the ?side-pockets?, that are formed by a more circular 8MR and pore along the [010] crystallographic axis. In this work we present results for CO2 adsorption on alkaline mordenites (Li+ and Na+) by FTIR and DFT periodical calculations.