화학공학소재연구정보센터
Langmuir, Vol.11, No.5, 1726-1730, 1995
Adsorption of Gaseous P- or M-Xylene in Bax Zeolite - Correlation Between Thermodynamic and Crystallographic Studies
This paper presents a synthesis of macroscopic and microscopic measurements about adsorption of xylenes in faujasite type zeolite. Adsorption of pure gaseous p-xylene or m-xylene in BaX zeolite was investigated by thermogravimetry, isothermal differential calorimetry, and neutron diffraction. A very good correlation was obtained between adsorption heats of both isomers in BaX zeolite and the crystallographic positions of the molecules in the zeolitic structure as a function of filling. This correlation between phenomenologic and microscopic aspects has shown important differences in the adsorption process between both xylenes when high fillings are considered. As for m-xylene, all molecules are adsorbed near Ba2+ ions in the alpha-cage in the whole adsorption range, i.e. up to the total filling, which is about 3 molecules per alpha-cage. Consequently, the pi-type interaction between each aromatic ring and a Ba2+ cation gives rise to rather high adsorption heats which decrease slightly as filling increases. As for p-xylene, the first two molecules adsorbed in each alpha-cage are located near Ba2+ ions, giving rise to similar adsorption heats as for m-xylene. Strong steric hindrance prevents the third molecule of p-xylene to adsorb near a Ba2+ cation. The molecule is constrained to adopt a less energetic position in the alpha-cage. A strong drop in the adsorption heats is therefore observed when the filling with p-xylene is increased above 2 molecules per alpha-cage.