Stark Calculations Baser on Tensorial Formalism and Ab Initio Methods: Application to Ethylene in Silicalite-1 Zeolite

Contribution and limitation of infrared spectroscopy technique to understand physisorption processes on MFI zeolites

This manuscript is devoted to the study of adsorption processes by FTIR spectroscopy. The experimental results concern the adsorption of ethylene, trichloroethylene, tetrachloroethylene, sulfur hexafluoride or p-xylene on MFI zeolites, more especially on silicalite-1. The first step of the work was to develop a new experimental device and procedure in order to obtain reliable absorption infrared data and to improve results previously obtained by a prototype. The first main result is to characterize, maybe for the first time, the evolution of the spectrum of the adsorbent all during the adsorption process. Experiments reveal that the zeolite infrared spectrum undergoes strong modifications w…