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

Figure 10.

Figure 10

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 MRE-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 MRE-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 MRE-type zeolite at 0.3 and 30 bar. (e) Typical snapshot of the simulation of adsorption of the mixture of xylenes at chemical equilibrium in MRE-type zeolites at 300 bar and 523 K. p-Xylene is shown in gray. The snapshot shows how p-xylene molecules are aligned with the channel of MRE-type zeolites.