New Type ZMOFs for the Separation of CO2 in Natural Gas

doi:10.7503/cjcu20130490

Abstract

Abstract:

We reported a molecular simulation study for the separation of industrially gas mixtures in different ion-exchanged(Li⁺, Na⁺, K⁺, Rb⁺, Cs⁺, Mg²⁺, Ca²⁺, Sr²⁺, Al³⁺) usf zeolite-like metal-organic framework(usf-ZMOF). The selectivities of the three systems(CO₂/CH₄, CO₂/N₂, CO₂/H₂) are higher than the average. For the different ion-exchanged usf-ZMOF, the selectivity enhances when the ion valences go up from positive one to three. In the same main group, the selectivity decreased with the atom number increasing. In our research, the highest one is Al-usf-ZMOF, in which at ambient temperature and pressure, the CO₂ adsorption selectivity is 290 for the CO₂/CH₄ mixture, 1.68×10⁴ for the CO₂/H₂ mixture, and 1.7×10³ for the CO₂/N₂ mixture. We find that the much higher selectivity is due to the strong interaction between CO₂ and ions. CO₂ assemble clusters around the ions to make the density even higher than liquid density in the nearest areas.

Key words: Zeolite-like metal-organic framework, Natural gas, Separation, Ion-exchange, Molecular simulation

CLC Number:

O641

TrendMD:

ZHENG Cheng-Cheng. New Type ZMOFs for the Separation of CO₂ in Natural Gas[J]. Chem. J. Chinese Universities, 2013, 34(11): 2574.

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New Type ZMOFs for the Separation of CO₂ in Natural Gas

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