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

49 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

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ASJC Scopus subject areas

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

Cite this

Wu, H., Yao, K., Zhu, Y., Li, B., Shi, Z., Krishna, R., & Li, J. (2012). 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. Journal of Physical Chemistry C, 116(31), 16609-16618. https://doi.org/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. / 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

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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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