Effects of support and oxygen vacancies on the energetics of NiO reduction with H2 for the chemical looping combustion (CLC) reaction; a DFT study-Reference-Cited by-同舟云学术

Effects of support and oxygen vacancies on the energetics of NiO reduction with H2 for the chemical looping combustion (CLC) reaction; a DFT study

Published:2021 Issue:22 Volume:23 Page:12795-12806
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Rasi Negar Manafi¹²³⁴,Hyla Alexander S.⁵⁶⁷,Ponnurangam Sathish¹²³⁴,Mahinpey Nader¹²³⁴^ORCID

Affiliation:

1. Department of Chemical and Petroleum Engineering

2. University of Calgary

3. Calgary

4. Canada

5. Naval Surface Warfare Center Indian Head Division

6. Indian Head

7. USA

Abstract

Addition of TiO₂ support to NiO oxygen carrier creates a lower energy pathway in the reduction reaction of NiO with H₂. Creation of oxygen vacancy also lowers the energy pathway.

Funder

Natural Sciences and Engineering Research Council of Canada

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D1CP00385B

Reference59 articles.

1. Chemical looping processes for CO2 capture and carbonaceous fuel conversion – prospect and opportunity

2. Enhanced Performance of Alkali Metal Doped Fe2O3 and Fe2O3/Al2O3 Composites As Oxygen Carrier Material in Chemical Looping Combustion

3. Ni based mixed oxide materials for CH4 oxidation under redox cycle conditions

4. Chemical-looping combustion (CLC) for inherent CO2 separations—a review

5. Kinetics of NiO reduction by H2 and Ni oxidation at conditions relevant to chemical-looping combustion and reforming

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