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

Figure 11.

Figure 11

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 MFI-type zeolites at 523 K. (c) Mole fractions of xylene isomers as a function of the total pressure for the mixture at chemical equilibrium adsorbed in the MFI-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 MFI-type zeolite at 0.3 and 30 bar. (e) Typical snapshot of the simulation of adsorption of the mixture of xylenes in the MFI-type zeolite at 300 bar and 523 K. m-Xylene is shown in blue, p-xylene in gray, and o-xylene in orange. The snapshot shows how xylenes are located in the intersection of the zigzag and straight channels of MFI-type zeolites.