A‐ and B‐site Codoped SrFeO 3 Oxygen Sorbents for Enhanced Chemical Looping Air Separation

Dou, Jian; Krzystowczyk, Emily; Wang, Xijun; Robbins, Thomas; Ma, Liang; Liu, Xingbo; Li, Fanxing

doi:10.1002/cssc.201902698

Title: A‐ and B‐site Codoped SrFeO ₃ Oxygen Sorbents for Enhanced Chemical Looping Air Separation

Journal Article · 11 December 2019 · ChemSusChem

DOI: https://doi.org/10.1002/cssc.201902698 · OSTI ID:1579372

Dou, Jian ^[1]; Krzystowczyk, Emily ^[1]; Wang, Xijun ^[1]; Robbins, Thomas ^[1]; Ma, Liang ^[2]; Liu, Xingbo ^[2];

^[1]

Department of Chemical and Biomolecular Engineering North Carolina State University 911 Partners Way Raleigh North Carolina 27695-7905 USA
Department of Mechanical and Aerospace Engineering West Virginia University 1374 Evansdale Drive Morgantown WV 26506 USA

Abstract Chemical‐looping air separation has numerous potential benefits in terms of energy saving and emission reductions. The current study details a combination of density functional theory calculation and experimental efforts to design A‐ and B‐site codoped SrFeO ₃ perovskites as “low‐temperature” oxygen sorbents for chemical‐looping air separation. Substitution of the SrFeO ₃ host structure with Ca and Co lowers oxygen vacancy formation energy by 0.24–0.46 eV and decreases the oxygen release temperature. As a result, Sr _{1− x} Ca _x Fe _{1− y} Co _y O ₃ (SCFC; x= 0.2, 0.0< y <1.0) spontaneously releases oxygen at 400–500 °C even under a relatively high oxygen partial pressure (e.g. P =0.05 atm). Sr _0.8 Ca _0.2 Fe _0.4 Co _0.6 O ₃ exhibits a significantly higher oxygen capacity of 1.2 wt % at 400 °C and under a P swing between 0.05 and 0.2 atm, when compared to the <0.2 wt % capacity for undoped a SrFeO ₃ (SF) and Ca‐doped Sr _0.8 Ca _0.2 FeO ₃ (SCF). Electrical conductivity relaxation (ECR) study demonstrates that codoping of Ca and Co lowers the activation energy of oxygen diffusion and surface oxygen exchange by 26.6 or 137.9 kJ mol ⁻¹ , respectively, resulting in faster redox kinetics for SCFC than for SCF perovskite. The SCFC oxygen sorbent also exhibits excellent stability for 2000 redox cycles for air separation.

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Sponsoring Organization:: USDOE

Grant/Contract Number:: FE0031521

OSTI ID:: 1579372

Journal Information:: ChemSusChem, Journal Name: ChemSusChem Journal Issue: 2 Vol. 13; ISSN 1864-5631

Publisher:: Wiley Blackwell (John Wiley & Sons)Copyright Statement

Country of Publication:: Germany

Language:: English

References (50)

Fe ₂ O ₃ @La _x Sr _{1− x} FeO ₃ Core-Shell Redox Catalyst for Methane Partial Oxidation Shafiefarhood, Arya; Galinsky, Nathan; Huang, Yan ChemCatChem, Vol. 6, Issue 3 https://doi.org/10.1002/cctc.201301104	journal	February 2014
Review of Oxygen Carriers for Chemical Looping with Oxygen Uncoupling (CLOU): Thermodynamics, Material Development, and Synthesis Imtiaz, Qasim; Hosseini, Davood; Müller, Christoph Rüdiger Energy Technology, Vol. 1, Issue 11 https://doi.org/10.1002/ente.201300099	journal	October 2013
Optimization and analysis of the VPSA process for industrial-scale oxygen production Ding, Zhaoyang; Han, Zhiyang; Fu, Qiang Adsorption, Vol. 24, Issue 5 https://doi.org/10.1007/s10450-018-9956-z	journal	June 2018
Enhanced methane conversion in chemical looping partial oxidation systems using a copper doping modification Qin, Lang; Guo, Mengqing; Liu, Yan Applied Catalysis B: Environmental, Vol. 235 https://doi.org/10.1016/j.apcatb.2018.04.072	journal	November 2018
Structure–property relationship of co-precipitated Cu-rich, Al2O3- or MgAl2O4-stabilized oxygen carriers for chemical looping with oxygen uncoupling (CLOU) Imtiaz, Qasim; Broda, Marcin; Müller, Christoph R. Applied Energy, Vol. 119 https://doi.org/10.1016/j.apenergy.2014.01.007	journal	April 2014
Enhancing properties of iron and manganese ores as oxygen carriers for chemical looping processes by dry impregnation Haider, S. K.; Azimi, G.; Duan, L. Applied Energy, Vol. 163 https://doi.org/10.1016/j.apenergy.2015.10.142	journal	February 2016
Thermodynamic analysis of molecular simulations of N2 and O2 adsorption on zeolites under plateau special conditions Fu, Yaoguo; Liu, Yingshu; Yang, Xiong Applied Surface Science, Vol. 480 https://doi.org/10.1016/j.apsusc.2019.03.011	journal	June 2019
Sr-LSX zeolite for air separation Yang, Xiong; Epiepang, Franklin E.; Li, Jianbo Chemical Engineering Journal, Vol. 362 https://doi.org/10.1016/j.cej.2019.01.066	journal	April 2019
Air separation and selective oxygen pumping via temperature and pressure swing oxygen adsorption using a redox cycle of SrFeO3 perovskite Bulfin, Brendan; Lapp, Justin; Richter, Sebastian Chemical Engineering Science, Vol. 203 https://doi.org/10.1016/j.ces.2019.03.057	journal	August 2019
A framework for optimizing oxygen vacancy formation in doped perovskites Hanselman, Christopher L.; Tafen, De Nyago; Alfonso, Dominic R. Computers & Chemical Engineering, Vol. 126 https://doi.org/10.1016/j.compchemeng.2019.03.033	journal	July 2019
Comparative thermodynamic analysis and integration issues of CCS steam power plants based on oxy-combustion with cryogenic or membrane based air separation Pfaff, Imo; Kather, Alfons Energy Procedia, Vol. 1, Issue 1 https://doi.org/10.1016/j.egypro.2009.01.066	journal	February 2009
Development of Cu-based oxygen carriers for chemical-looping combustion de Diego, Luis F.; Garcı́a-Labiano, Francisco; Adánez, Juan Fuel, Vol. 83, Issue 13, p. 1749-1757 https://doi.org/10.1016/j.fuel.2004.03.003	journal	September 2004
Integration options for novel chemical looping air separation (ICLAS) process for oxygen production in oxy-fuel coal fired power plants Shah, Kalpit; Moghtaderi, Behdad; Zanganeh, Jafar Fuel, Vol. 107 https://doi.org/10.1016/j.fuel.2013.01.007	journal	May 2013
Investigation of perovskite supported composite oxides for chemical looping conversion of syngas Chen, Yanguang; Galinsky, Nathan; Wang, Ziren Fuel, Vol. 134 https://doi.org/10.1016/j.fuel.2014.06.017	journal	October 2014
Oxygen release from manganese ores relevant for chemical looping with oxygen uncoupling conditions Sundqvist, Sebastian; Mattisson, Tobias; Leion, Henrik Fuel, Vol. 232 https://doi.org/10.1016/j.fuel.2018.06.024	journal	November 2018
Chemical-looping with oxygen uncoupling for combustion of solid fuels Mattisson, Tobias; Lyngfelt, Anders; Leion, Henrik International Journal of Greenhouse Gas Control, Vol. 3, Issue 1, p. 11-19 https://doi.org/10.1016/j.ijggc.2008.06.002	journal	January 2009
Synthesis and upscaling of perovskite Mn-based oxygen carrier by industrial spray drying route Jacobs, Marijke; van der Kolk, Tjalling; Albertsen, Knuth International Journal of Greenhouse Gas Control, Vol. 70 https://doi.org/10.1016/j.ijggc.2018.01.006	journal	March 2018
Oxygen Vacancy Creation Energy in Mn-Containing Perovskites: An Effective Indicator for Chemical Looping with Oxygen Uncoupling Mishra, Amit; Li, Tianyang; Li, Fanxing Chemistry of Materials, Vol. 31, Issue 3 https://doi.org/10.1021/acs.chemmater.8b03187	journal	December 2018
Chemical-Looping Combustion of Kerosene and Gaseous Fuels with a Natural and a Manufactured Mn–Fe-Based Oxygen Carrier Moldenhauer, P.; Serrano, A.; García-Labiano, F. Energy & Fuels, Vol. 32, Issue 8 https://doi.org/10.1021/acs.energyfuels.8b01588	journal	June 2018
Hydrogen Production by Steam Oxidation of Reduced CaFe ₂ O ₄ during Chemical Looping Coal Gasification: Equilibrium and Kinetic Analysis Monazam, Esmail R.; Siriwardane, Ranjani Energy & Fuels, Vol. 32, Issue 10 https://doi.org/10.1021/acs.energyfuels.8b01650	journal	September 2018
Sr _{1– x} Ca _x FeO _3-δ as a New Oxygen Sorbent for the High-Temperature Pressure-Swing Adsorption Process Miura, Norio; Ikeda, Hiroshi; Tsuchida, Akinori Industrial & Engineering Chemistry Research, Vol. 55, Issue 11 https://doi.org/10.1021/acs.iecr.5b04579	journal	March 2016
Perovskite Promoted Mixed Cobalt–Iron Oxides for Enhanced Chemical Looping Air Separation Dou, Jian; Krzystowczyk, Emily; Mishra, Amit ACS Sustainable Chemistry & Engineering, Vol. 6, Issue 11 https://doi.org/10.1021/acssuschemeng.8b03970	journal	October 2018
Simultaneous Probing of the Fe and Co Sites in the CO ₂ -Absorber Perovskite Sr _0.95 Ca _0.05 Co _0.5 Fe _0.5 O _3-δ : a Mössbauer Study Homonnay, Z.; Nomura, K.; Juhász, G. Chemistry of Materials, Vol. 14, Issue 3 https://doi.org/10.1021/cm011190v	journal	March 2002
Synthesis and Oxygen Storage Capacities of Hexagonal Dy _{1– x} Y _x MnO _3+δ Remsen, Steven; Dabrowski, Bogdan Chemistry of Materials, Vol. 23, Issue 17 https://doi.org/10.1021/cm2006956	journal	September 2011
Oxygen Storage Capability of Brownmillerite-type Ca ₂ AlMnO _5+δ and Its Application to Oxygen Enrichment Motohashi, Teruki; Hirano, Yuka; Masubuchi, Yuji Chemistry of Materials, Vol. 25, Issue 3 https://doi.org/10.1021/cm303156n	journal	January 2013
Selection of Oxygen Carriers for Chemical-Looping Combustion Adánez, J.; de Diego, L. F.; García-Labiano, F. Energy & Fuels, Vol. 18, Issue 2, p. 371-377 https://doi.org/10.1021/ef0301452	journal	March 2004
Selection of Suitable Oxygen Carriers for Chemical Looping Air Separation: A Thermodynamic Approach Shah, Kalpit; Moghtaderi, Behdad; Wall, Terry Energy & Fuels, Vol. 26, Issue 4 https://doi.org/10.1021/ef300132c	journal	March 2012
Reactivity of Al ₂ O ₃ - or SiO ₂ -Supported Cu-, Mn-, and Co-Based Oxygen Carriers for Chemical Looping Air Separation Song, Hui; Shah, Kalpit; Doroodchi, Elham Energy & Fuels, Vol. 28, Issue 2 https://doi.org/10.1021/ef402268t	journal	January 2014
Techno-Economic Assessment of Integrated Chemical Looping Air Separation for Oxy-Fuel Combustion: An Australian Case Study Zhou, Cheng; Shah, Kalpit; Moghtaderi, Behdad Energy & Fuels, Vol. 29, Issue 4 https://doi.org/10.1021/ef5022076	journal	March 2015
Chemical-Looping Combustion of Coal with Metal Oxide Oxygen Carriers Siriwardane, Ranjani; Tian, Hanjing; Richards, George Energy & Fuels, Vol. 23, Issue 8 https://doi.org/10.1021/ef9001605	journal	August 2009
Application of Chemical Looping Concept for Air Separation at High Temperatures ^† Moghtaderi, Behdad Energy & Fuels, Vol. 24, Issue 1 https://doi.org/10.1021/ef900553j	journal	January 2010
High-Temperature Sorption Process for Air Separation and Oxygen Removal Yang, Zhaohui; Lin, Y. S.; Zeng, Y. Industrial & Engineering Chemistry Research, Vol. 41, Issue 11 https://doi.org/10.1021/ie010736k	journal	May 2002
High-Temperature Oxygen Sorption in a Fixed Bed Packed with Perovskite-Type Ceramic Sorbents Yang, Z. H.; Lin, Y. S. Industrial & Engineering Chemistry Research, Vol. 42, Issue 19 https://doi.org/10.1021/ie030313d	journal	September 2003
Low-Temperature Oxygen Storage of Cr ^IV –Cr ^V Mixed-Valence YCr _{1– x} P _x O _4−δ Driven by Local Condensation around Oxygen-Deficient Orthochromite Aoki, Yoshitaka; Kuroda, Kosuke; Hinokuma, Satoshi Journal of the American Chemical Society, Vol. 139, Issue 32 https://doi.org/10.1021/jacs.7b05429	journal	August 2017
Iron Oxide with Facilitated O ^2– Transport for Facile Fuel Oxidation and CO ₂ Capture in a Chemical Looping Scheme Galinsky, Nathan L.; Huang, Yan; Shafiefarhood, Arya ACS Sustainable Chemistry & Engineering, Vol. 1, Issue 3 https://doi.org/10.1021/sc300177j	journal	February 2013
Metal oxide redox chemistry for chemical looping processes Zeng, Liang; Cheng, Zhuo; Fan, Jonathan A. Nature Reviews Chemistry, Vol. 2, Issue 11 https://doi.org/10.1038/s41570-018-0046-2	journal	October 2018
CuO promoted Mn ₂ O ₃ -based materials for solid fuel combustion with inherent CO ₂ capture Hosseini, D.; Imtiaz, Q.; Abdala, P. M. Journal of Materials Chemistry A, Vol. 3, Issue 19 https://doi.org/10.1039/C5TA01088H	journal	January 2015
Na ⁺ doping induced changes in the reduction and charge transport characteristics of Al ₂ O ₃ -stabilized, CuO-based materials for CO ₂ capture Imtiaz, Q.; Abdala, P. M.; Kierzkowska, A. M. Physical Chemistry Chemical Physics, Vol. 18, Issue 17 https://doi.org/10.1039/C6CP00257A	journal	January 2016
Large scale in silico screening of materials for carbon capture through chemical looping Lau, Cindy Y.; Dunstan, Matthew T.; Hu, Wenting Energy & Environmental Science, Vol. 10, Issue 3 https://doi.org/10.1039/C6EE02763F	journal	January 2017
Perovskite oxides for application in thermochemical air separation and oxygen storage Vieten, J.; Bulfin, B.; Call, F. Journal of Materials Chemistry A, Vol. 4, Issue 35 https://doi.org/10.1039/C6TA04867F	journal	January 2016
Rh-promoted mixed oxides for “low-temperature” methane partial oxidation in the absence of gaseous oxidants Shafiefarhood, Arya; Zhang, Junshe; Neal, Luke Michael Journal of Materials Chemistry A, Vol. 5, Issue 23 https://doi.org/10.1039/C7TA01398A	journal	January 2017
Materials design of perovskite solid solutions for thermochemical applications Vieten, Josua; Bulfin, Brendan; Huck, Patrick Energy & Environmental Science, Vol. 12, Issue 4 https://doi.org/10.1039/C9EE00085B	journal	January 2019
Ionic diffusion in the oxidation of iron—effect of support and its implications to chemical looping applications Li, Fanxing; Sun, Zhenchao; Luo, Siwei Energy & Environmental Science, Vol. 4, Issue 3, p. 876-880 https://doi.org/10.1039/c0ee00589d	journal	January 2011
Role of metal oxide support in redox reactions of iron oxide for chemical looping applications: experiments and density functional theory calculations Li, Fanxing; Luo, Siwei; Sun, Zhenchao Energy & Environmental Science, Vol. 4, Issue 9, p. 3661-3667 https://doi.org/10.1039/c1ee01325d	journal	January 2011
An experimental and computational investigation of the oxygen storage properties of BaLnFe2O5+δ and BaLnCo2O5+δ (Ln = La, Y) perovskites Lekse, Jonathan W.; Natesakhawat, Sittichai; Alfonso, Dominic Journal of Materials Chemistry A, Vol. 2, Issue 7 https://doi.org/10.1039/c3ta13257a	journal	January 2014
Commentary: The Materials Project: A materials genome approach to accelerating materials innovation Jain, Anubhav; Ong, Shyue Ping; Hautier, Geoffroy APL Materials, Vol. 1, Issue 1 https://doi.org/10.1063/1.4812323	journal	July 2013
Comparative analysis of cryogenic and PTSA technologies for systems of oxygen production Banaszkiewicz, T.; Chorowski, M.; Gizicki, W. ADVANCES IN CRYOGENIC ENGINEERING: Transactions of the Cryogenic Engineering Conference - CEC, AIP Conference Proceedings https://doi.org/10.1063/1.4860866	conference	January 2014
Ab initiomolecular dynamics for liquid metals Kresse, G.; Hafner, J. Physical Review B, Vol. 47, Issue 1, p. 558-561 https://doi.org/10.1103/PhysRevB.47.558	journal	January 1993
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996

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