Cu-TDPAT, an <i>rht</i>-Type Dual-Functional Metal–Organic Framework Offering Significant Potential for Use in H<sub>2</sub> and Natural Gas Purification Processes
Operating
at High Pressures
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Abstract
The separations of CO<sub>2</sub>/CO/CH<sub>4</sub>/H<sub>2</sub>, CO<sub>2</sub>/H<sub>2</sub>, CH<sub>4</sub>/H<sub>2</sub>, and
CO<sub>2</sub>/CH<sub>4</sub> mixtures at pressures ranging to 7 MPa
are important in a variety of contexts, including H<sub>2</sub> production,
natural gas purification, and fuel-gas processing. The primary objective
of this study is to demonstrate the selective adsorption potential
of an <i>rht</i>-type metal–organic framework [Cu<sub>3</sub>(TDPAT)(H<sub>2</sub>O)<sub>3</sub>]·10H<sub>2</sub>O·5DMA
(Cu-TDPAT), possessing a high density of both open metal sites and
Lewis basic sites. Experimental high pressure pure component isotherm
data for CO<sub>2</sub>, CO, CH<sub>4</sub>, and H<sub>2</sub> are
combined with the Ideal Adsorbed Solution Theory (IAST) for estimation
of mixture adsorption equilibrium. The separation performance of Cu-TDPAT
is compared with four other microporous materials, specifically chosen
in order to span a wide range of physicochemical characteristics:
MgMOF-74, MIL-101, LTA-5A, and NaX. For all mixtures investigated,
the capacity of Cu-TDPAT to produce the desired product, H<sub>2</sub> or CH<sub>4</sub>, satisfying stringent purity requirements, in
a fixed bed operating at pressures exceeding about 4 MPa, is either
comparable to, or exceeds, that of other materials
