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Nandi S, De Luna P, Daff TD, et al. A single-ligand ultra-microporous MOF for precombustion CO2 capture and hydrogen purification. Sci Adv. 2015;1(11):e1500421doi: 10.1126/sciadv.1500421.
Nandi, S., De Luna, P., Daff, T. D., Rother, J., Liu, M., Buchanan, W., Hawari, A. I., Woo, T. K., & Vaidhyanathan, R. (2015). A single-ligand ultra-microporous MOF for precombustion CO2 capture and hydrogen purification. Science advances, 1(11), e1500421. https://doi.org/10.1126/sciadv.1500421
Nandi, Shyamapada, et al. "A single-ligand ultra-microporous MOF for precombustion CO2 capture and hydrogen purification." Science advances vol. 1,11 (2015): e1500421. doi: https://doi.org/10.1126/sciadv.1500421
Nandi S, De Luna P, Daff TD, Rother J, Liu M, Buchanan W, Hawari AI, Woo TK, Vaidhyanathan R. A single-ligand ultra-microporous MOF for precombustion CO2 capture and hydrogen purification. Sci Adv. 2015 Dec 18;1(11):e1500421. doi: 10.1126/sciadv.1500421. eCollection 2015 Dec. PMID: 26824055; PMCID: PMC4730842.
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Sci Adv. 2015 Dec 18;1(11):e1500421. doi: 10.1126/sciadv.1500421. eCollection 2015 Dec.

A single-ligand ultra-microporous MOF for precombustion CO2 capture and hydrogen purification.

Science advances

Shyamapada Nandi, Phil De Luna, Thomas D Daff, Jens Rother, Ming Liu, William Buchanan, Ayman I Hawari, Tom K Woo, Ramanathan Vaidhyanathan

Affiliations

  1. Department of Chemistry, Indian Institute of Science Education and Research, Pune 411008, India.
  2. Centre for Catalysis Research and Innovation, Department of Chemistry, University of Ottawa, Ottawa, Ontario K1N 6N5, Canada.
  3. Institute of Thermo and Fluid Dynamics, Ruhr-University Bochum, Universitätsstraße 150, D-44801 Bochum, Germany.
  4. Department of Nuclear Engineering, North Carolina State University, Raleigh, NC 27695, USA.
  5. Enovex Technology Corporation, Saint John, New Brunswick E2L 2E9, Canada.
  6. Department of Chemistry, Indian Institute of Science Education and Research, Pune 411008, India.; Enovex Technology Corporation, Saint John, New Brunswick E2L 2E9, Canada.

PMID: 26824055 PMCID: PMC4730842 DOI: 10.1126/sciadv.1500421

Abstract

Metal organic frameworks (MOFs) built from a single small ligand typically have high stability, are rigid, and have syntheses that are often simple and easily scalable. However, they are normally ultra-microporous and do not have large surface areas amenable to gas separation applications. We report an ultra-microporous (3.5 and 4.8 Å pores) Ni-(4-pyridylcarboxylate)2 with a cubic framework that exhibits exceptionally high CO2/H2 selectivities (285 for 20:80 and 230 for 40:60 mixtures at 10 bar, 40°C) and working capacities (3.95 mmol/g), making it suitable for hydrogen purification under typical precombustion CO2 capture conditions (1- to 10-bar pressure swing). It exhibits facile CO2 adsorption-desorption cycling and has CO2 self-diffusivities of ~3 × 10(-9) m(2)/s, which is two orders higher than that of zeolite 13X and comparable to other top-performing MOFs for this application. Simulations reveal a high density of binding sites that allow for favorable CO2-CO2 interactions and large cooperative binding energies. Ultra-micropores generated by a small ligand ensures hydrolytic, hydrostatic stabilities, shelf life, and stability toward humid gas streams.

Keywords: CO2 self-diffusivity; Hydrogen purification; Metal Organic Framework; Single-ligand MOF; Ultra-microporous; mixed-gas adsorption simulation; positron annihilation lifetime spectroscopy of MOF; pre-combustion CO2 capture

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