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- W2033178369 abstract "We have performed lattice grand canonical Monte Carlo simulations of benzene adsorption in Na-X zeolite, to determine whether strongly confined benzene molecules exhibit subcritical properties. We observe a phase transition from low to high density of adsorbed benzene, analogous to vapor–liquid equilibrium, at temperatures as high as 300 K and above. By performing thermodynamic integration to construct the coexistence curve, we obtain a critical point for benzene in Na-X at Tc=370±20 K, θc=0.45±0.05 fractional coverage." @default.
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- W2033178369 title "Simulations of high Tc vapor–liquid phase transitions in nanoporous materials" @default.
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- W2033178369 doi "https://doi.org/10.1063/1.477544" @default.
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