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. 2021 Feb 10;125(7):4155–4174. doi: 10.1021/acs.jpcc.0c09411

Figure 4.

Figure 4

Adsorption isotherms of xylene isomers as (a) single components (total loading mixture is the sum of the loadings of xylenes from the mixture at chemical equilibrium) and (b) a mixture at chemical equilibrium in FAU-type zeolites at 523 K. (c) Mole fractions of xylene isomers as a function of total pressure for the mixture at chemical equilibrium adsorbed in the FAU-type zeolite and for the bulk phase. The composition in the bulk phase follows from Figure 1a. (d) Changes in enthalpy ΔHtr,i and entropy TΔStr,i at 523 K due to the transfer of xylene i from the fluid-phase mixture at chemical equilibrium to the FAU-type zeolite at 0.3 and 30 bar. (e) Typical snapshot of the simulation of adsorption of the mixture of xylene isomers in FAU-type zeolites at 523 K and 300 bar. m-Xylene is shown in blue, p-xylene in gray, and o-xylene in orange. The snapshot shows how several xylenes are hosted in the cages of FAU-type zeolites.