Cu-TDPAT, an rht -type dual-functional metal-organic framework offering significant potential for use in H 2 and natural gas purification processes operating at high pressures

Haohan Wu; Kexin Yao; Yihan Zhu; Baiyan Li; Zhan Shi; Rajamani Krishna; Jing Li

doi:10.1021/jp3046356

Cu-TDPAT, an rht -type dual-functional metal-organic framework offering significant potential for use in H ₂ and natural gas purification processes operating at high pressures

Haohan Wu, Kexin Yao, Yihan Zhu, Baiyan Li, Zhan Shi, Rajamani Krishna, Jing Li

Rutgers University

Research output: Contribution to journal › Article › peer-review

55 Citations (Scopus)

Abstract

The separations of CO ₂/CO/CH ₄/H ₂, CO ₂/H ₂, CH ₄/H ₂, and CO ₂/CH ₄ mixtures at pressures ranging to 7 MPa are important in a variety of contexts, including H ₂ production, natural gas purification, and fuel-gas processing. The primary objective of this study is to demonstrate the selective adsorption potential of an rht-type metal-organic framework [Cu ₃(TDPAT)(H ₂O) ₃]·10H ₂O·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 ₂, CO, CH ₄, and H ₂ 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 ₂ or CH ₄, 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.

Original language	English
Pages (from-to)	16609-16618
Number of pages	10
Journal	Journal of Physical Chemistry C
Volume	116
Issue number	31
DOIs	https://doi.org/10.1021/jp3046356
Publication status	Published - Aug 9 2012

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Energy(all)
Physical and Theoretical Chemistry
Surfaces, Coatings and Films

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Cu-TDPAT, an rht -type dual-functional metal-organic framework offering significant potential for use in H ₂ and natural gas purification processes operating at high pressures. / Wu, Haohan; Yao, Kexin; Zhu, Yihan; Li, Baiyan; Shi, Zhan; Krishna, Rajamani; Li, Jing.

In: Journal of Physical Chemistry C, Vol. 116, No. 31, 09.08.2012, p. 16609-16618.

Research output: Contribution to journal › Article › peer-review

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abstract = "The separations of CO 2/CO/CH 4/H 2, CO 2/H 2, CH 4/H 2, and CO 2/CH 4 mixtures at pressures ranging to 7 MPa are important in a variety of contexts, including H 2 production, natural gas purification, and fuel-gas processing. The primary objective of this study is to demonstrate the selective adsorption potential of an rht-type metal-organic framework [Cu 3(TDPAT)(H 2O) 3]·10H 2O·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 2, CO, CH 4, and H 2 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 2 or CH 4, 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.",

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