A scalable metal-organic framework as a durable physisorbent for carbon dioxide capture

Lin, Jian-Bin; Nguyen, Tai T.  T.; Vaidhyanathan, Ramanathan; Burner, Jake; Taylor, Jared M.; Durekova, Hana; Akhtar, Farid; Mah, Roger K.; Ghaffari-Nik, Omid; Marx, Stefan; Fylstra, Nicholas; Iremonger, Simon S.; Dawson, Karl W.; Sarkar, Partha; Hovington, Pierre; Rajendran, Arvind; Woo, Tom K.; Shimizu, George K.  H.

doi:10.1126/science.abi7281

A scalable metal-organic framework as a durable physisorbent for carbon dioxide capture

Journal Article · Thu Dec 16 23:00:00 EST 2021 · Science

DOI:https://doi.org/10.1126/science.abi7281· OSTI ID:1982953

^[1]; ^[2]; ^[3]; ^[4]; Taylor, Jared M. ^[5]; Durekova, Hana ^[4]; ^[6]; Mah, Roger K. ^[5]; ^[7]; ^[8]; ^[1]; Iremonger, Simon S. ^[1]; Dawson, Karl W. ^[1]; ^[2]; ^[7]; ^[2]; ^[4]; ^[5]

Department of Chemistry, University of Calgary, Calgary, Alberta, Canada.
Department of Chemical and Materials Engineering, University of Alberta, Edmonton, Alberta, Canada.
Department of Chemistry, University of Calgary, Calgary, Alberta, Canada.; Indian Institute of Science Education and Research, Dr. Homi Bhabha Road, Pashan, Pune, Maharashtra, 411008, India.
Department of Chemistry and Biomolecular Science, University of Ottawa, Ottawa, Ontario, Canada.
Department of Chemistry, University of Calgary, Calgary, Alberta, Canada.; ZoraMat Solutions Inc., Calgary, Alberta, Canada.
Department of Materials Engineering, Luleå University of Technology, Luleå, Sweden.
Svante Inc., Vancouver, British Columbia, Canada.
BASF SE, Ludwigshafen am Rhein, Germany.

A hydrophobic CO<sub>2</sub>physisorbent

Most materials for carbon dioxide (CO₂) capture of fossil fuel combustion, such as amines, rely on strong chemisorption interactions that are highly selective but can incur a large energy penalty to release CO₂. Linet al. show that a zinc-based metal organic framework material can physisorb CO₂and incurs a lower regeneration penalty. Its binding site at the center of the pores precludes the formation of hydrogen-bonding networks between water molecules. This durable material can preferentially adsorb CO2 at 40% relative humidity and maintains its performance under flue gas conditions of 150°C. —PDS

Research Organization:: US Department of Energy (USDOE), Washington DC (United States). Office of Fossil Energy (FE)

Sponsoring Organization:: USDOE

OSTI ID:: 1982953

Journal Information:: Science, Journal Name: Science Journal Issue: 6574 Vol. 374; ISSN 0036-8075

Publisher:: AAAS

Country of Publication:: United States

Language:: English

References (67)

Acid Gas Stability of Zeolitic Imidazolate Frameworks: Generalized Kinetic and Thermodynamic Characteristics Bhattacharyya, Souryadeep; Han, Rebecca; Kim, Wun-Gwi Chemistry of Materials, Vol. 30, Issue 12 https://doi.org/10.1021/acs.chemmater.8b01394	journal	May 2018
High and Selective CO ₂ Uptake in a Cobalt Adeninate Metal−Organic Framework Exhibiting Pyrimidine- and Amino-Decorated Pores An, Jihyun; Geib, Steven J.; Rosi, Nathaniel L. Journal of the American Chemical Society, Vol. 132, Issue 1 https://doi.org/10.1021/ja909169x	journal	January 2010
Chemical, thermal and mechanical stabilities of metal–organic frameworks Howarth, Ashlee J.; Liu, Yangyang; Li, Peng Nature Reviews Materials, Vol. 1, Issue 3 https://doi.org/10.1038/natrevmats.2015.18	journal	February 2016
Extraordinary NO ₂ Removal by the Metal-Organic Framework UiO-66-NH ₂ Peterson, Gregory W.; Mahle, John J.; DeCoste, Jared B. Angewandte Chemie International Edition, Vol. 55, Issue 21 https://doi.org/10.1002/anie.201601782	journal	April 2016
Water-resistant porous coordination polymers for gas separation Duan, Jingui; Jin, Wanqin; Kitagawa, Susumu Coordination Chemistry Reviews, Vol. 332 https://doi.org/10.1016/j.ccr.2016.11.004	journal	February 2017
Amine-Based CO ₂ Capture Technology Development from the Beginning of 2013—A Review Dutcher, Bryce; Fan, Maohong; Russell, Armistead G. ACS Applied Materials & Interfaces, Vol. 7, Issue 4 https://doi.org/10.1021/am507465f	journal	January 2015
Process intensification for post-combustion CO2 capture with chemical absorption: A critical review Wang, Meihong; Joel, Atuman S.; Ramshaw, Colin Applied Energy, Vol. 158 https://doi.org/10.1016/j.apenergy.2015.08.083	journal	November 2015
Carbon capture and storage (CCS): the way forward Bui, Mai; Adjiman, Claire S.; Bardow, André Energy & Environmental Science, Vol. 11, Issue 5 https://doi.org/10.1039/C7EE02342A	journal	January 2018
CO2 adsorption under humid conditions: Self-regulated water content in CAU-10 López-Cervantes, Valeria B.; Sánchez-González, Elí; Jurado-Vázquez, Tamara Polyhedron, Vol. 155 https://doi.org/10.1016/j.poly.2018.08.043	journal	November 2018
Cooperative carbon capture and steam regeneration with tetraamine-appended metal–organic frameworks Kim, Eugene J.; Siegelman, Rebecca L.; Jiang, Henry Z. H. Science, Vol. 369, Issue 6502 https://doi.org/10.1126/science.abb3976	journal	July 2020
Porous materials for carbon dioxide separations Siegelman, Rebecca L.; Kim, Eugene J.; Long, Jeffrey R. Nature Materials, Vol. 20, Issue 8 https://doi.org/10.1038/s41563-021-01054-8	journal	July 2021
Toward Green Production of Water-Stable Metal–Organic Frameworks Based on High-Valence Metals with Low Toxicities Wang, Sujing; Serre, Christian ACS Sustainable Chemistry & Engineering https://doi.org/10.1021/acssuschemeng.9b01022	journal	June 2019
NO _x Adsorption and Optical Detection in Rare Earth Metal–Organic Frameworks Sava Gallis, Dorina F.; Vogel, Dayton J.; Vincent, Grace A. ACS Applied Materials & Interfaces, Vol. 11, Issue 46 https://doi.org/10.1021/acsami.9b16470	journal	October 2019
A Fine-Tuned Fluorinated MOF Addresses the Needs for Trace CO ₂ Removal and Air Capture Using Physisorption Bhatt, Prashant M.; Belmabkhout, Youssef; Cadiau, Amandine Journal of the American Chemical Society, Vol. 138, Issue 29 https://doi.org/10.1021/jacs.6b05345	journal	July 2016
Porous materials with optimal adsorption thermodynamics and kinetics for CO₂ separation Nugent, Patrick; Belmabkhout, Youssef; Burd, Stephen D. Nature, Vol. 495, Issue 7439, p. 80-84 https://doi.org/10.1038/nature11893	journal	February 2013
Cooperative insertion of CO2 in diamine-appended metal-organic frameworks McDonald, Thomas M.; Mason, Jarad A.; Kong, Xueqian Nature, Vol. 519, Issue 7543 https://doi.org/10.1038/nature14327	journal	March 2015
Electrostatic Potential Derived Atomic Charges for Periodic Systems Using a Modified Error Functional Campañá, Carlos; Mussard, Bastien; Woo, Tom K. Journal of Chemical Theory and Computation, Vol. 5, Issue 10 https://doi.org/10.1021/ct9003405	journal	August 2009
Data-driven design of metal–organic frameworks for wet flue gas CO2 capture Boyd, Peter G.; Chidambaram, Arunraj; García-Díez, Enrique Nature, Vol. 576, Issue 7786 https://doi.org/10.1038/s41586-019-1798-7	journal	December 2019
Dramatic Tuning of Carbon Dioxide Uptake via Metal Substitution in a Coordination Polymer with Cylindrical Pores Caskey, Stephen R.; Wong-Foy, Antek G.; Matzger, Adam J. Journal of the American Chemical Society, Vol. 130, Issue 33, p. 10870-10871 https://doi.org/10.1021/ja8036096	journal	August 2008
Adsorbent Screening for Postcombustion CO ₂ Capture: A Method Relating Equilibrium Isotherm Characteristics to an Optimum Vacuum Swing Adsorption Process Performance Khurana, Maninder; Farooq, Shamsuzzaman Industrial & Engineering Chemistry Research, Vol. 55, Issue 8 https://doi.org/10.1021/acs.iecr.5b04531	journal	February 2016
Understanding Inflections and Steps in Carbon Dioxide Adsorption Isotherms in Metal-Organic Frameworks Walton, Krista S.; Millward, Andrew R.; Dubbeldam, David Journal of the American Chemical Society, Vol. 130, Issue 2, p. 406-407 https://doi.org/10.1021/ja076595g	journal	January 2008
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Kresse, G.; Furthmüller, J. Computational Materials Science, Vol. 6, Issue 1, p. 15-50 https://doi.org/10.1016/0927-0256(96)00008-0	journal	July 1996
Stability of an Al-Fumarate MOF and Its Potential for CO₂ Capture from Wet Stream Coelho, Juliana A.; Ribeiro, Ana Mafalda; Ferreira, Alexandre F. P. Industrial & Engineering Chemistry Research, Vol. 55, Issue 7 https://doi.org/10.1021/acs.iecr.5b03509	journal	February 2016
DL_POLY_3: new dimensions in molecular dynamics simulations via massive parallelism Todorov, Ilian T.; Smith, William; Trachenko, Kostya Journal of Materials Chemistry, Vol. 16, Issue 20, p. 1911-1918 https://doi.org/10.1039/b517931a	journal	January 2006
Amine degradation in CO2 capture. I. A review Gouedard, C.; Picq, D.; Launay, F. International Journal of Greenhouse Gas Control, Vol. 10 https://doi.org/10.1016/j.ijggc.2012.06.015	journal	September 2012
Carbon-Based Adsorbents for Postcombustion CO ₂ Capture: A Critical Review Creamer, Anne Elise; Gao, Bin Environmental Science & Technology, Vol. 50, Issue 14 https://doi.org/10.1021/acs.est.6b00627	journal	June 2016
Trends in Solid Adsorbent Materials Development for CO ₂ Capture Pardakhti, Maryam; Jafari, Tahereh; Tobin, Zachary ACS Applied Materials & Interfaces, Vol. 11, Issue 38 https://doi.org/10.1021/acsami.9b08487	journal	June 2019
Dynamic column breakthrough experiments for measurement of adsorption equilibrium and kinetics Wilkins, Nicholas Stiles; Rajendran, Arvind; Farooq, Shamsuzzaman Adsorption, Vol. 27, Issue 3 https://doi.org/10.1007/s10450-020-00269-6	journal	September 2020
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
The chemistry of metal–organic frameworks for CO2 capture, regeneration and conversion Trickett, Christopher A.; Helal, Aasif; Al-Maythalony, Bassem A. Nature Reviews Materials, Vol. 2, Issue 8 https://doi.org/10.1038/natrevmats.2017.45	journal	July 2017
Industrial applications of metal–organic frameworks Czaja, Alexander U.; Trukhan, Natalia; Müller, Ulrich Chemical Society Reviews, Vol. 38, Issue 5, p. 1284-1293 https://doi.org/10.1039/b804680h	journal	January 2009
Understanding the Effect of Water on CO ₂ Adsorption Kolle, Joel M.; Fayaz, Mohammadreza; Sayari, Abdelhamid Chemical Reviews, Vol. 121, Issue 13 https://doi.org/10.1021/acs.chemrev.0c00762	journal	May 2021
Emerging CO2 capture systems Abanades, J. C.; Arias, B.; Lyngfelt, A. International Journal of Greenhouse Gas Control, Vol. 40 https://doi.org/10.1016/j.ijggc.2015.04.018	journal	September 2015
Carbon Dioxide Capture in Metal–Organic Frameworks Sumida, Kenji; Rogow, David L.; Mason, Jarad A. Chemical Reviews, Vol. 112, Issue 2, p. 724-781 https://doi.org/10.1021/cr2003272	journal	September 2011
A New Zirconium Inorganic Building Brick Forming Metal Organic Frameworks with Exceptional Stability Cavka, Jasmina Hafizovic; Jakobsen, Søren; Olsbye, Unni Journal of the American Chemical Society, Vol. 130, Issue 42, p. 13850-13851 https://doi.org/10.1021/ja8057953	journal	October 2008
OLEX2 : a complete structure solution, refinement and analysis program Dolomanov, Oleg V.; Bourhis, Luc J.; Gildea, Richard J. Journal of Applied Crystallography, Vol. 42, Issue 2 https://doi.org/10.1107/S0021889808042726	journal	January 2009
Ultralow Parasitic Energy for Postcombustion CO ₂ Capture Realized in a Nickel Isonicotinate Metal–Organic Framework with Excellent Moisture Stability Nandi, Shyamapada; Collins, Sean; Chakraborty, Debanjan Journal of the American Chemical Society, Vol. 139, Issue 5 https://doi.org/10.1021/jacs.6b10455	journal	January 2017
Stable Metal-Organic Frameworks: Design, Synthesis, and Applications Yuan, Shuai; Feng, Liang; Wang, Kecheng Advanced Materials, Vol. 30, Issue 37 https://doi.org/10.1002/adma.201704303	journal	February 2018
Prediction of MOF Performance in Vacuum Swing Adsorption Systems for Postcombustion CO ₂ Capture Based on Integrated Molecular Simulations, Process Optimizations, and Machine Learning Models Burns, Thomas D.; Pai, Kasturi Nagesh; Subraveti, Sai Gokul Environmental Science & Technology, Vol. 54, Issue 7 https://doi.org/10.1021/acs.est.9b07407	journal	February 2020
Direct Observation and Quantification of CO ₂ Binding Within an Amine-Functionalized Nanoporous Solid Vaidhyanathan, Ramanathan; Iremonger, Simon S.; Shimizu, George K. H. Science, Vol. 330, Issue 6004 https://doi.org/10.1126/science.1194237	journal	October 2010
Metal–organic frameworks meet scalable and sustainable synthesis Julien, Patrick A.; Mottillo, Cristina; Friščić, Tomislav Green Chemistry, Vol. 19, Issue 12 https://doi.org/10.1039/C7GC01078H	journal	January 2017
How Well Do Approximate Models of Adsorption-Based CO ₂ Capture Processes Predict Results of Detailed Process Models? Park, Jongwoo; Rubiera Landa, Héctor Octavio; Kawajiri, Yoshiaki Industrial & Engineering Chemistry Research https://doi.org/10.1021/acs.iecr.9b05363	journal	January 2020
Post-Combustion CO₂ Capture Using Solid Sorbents: A Review Samanta, Arunkumar; Zhao, An; Shimizu, George K. H. Industrial & Engineering Chemistry Research, Vol. 51, Issue 4, p. 1438-1463 https://doi.org/10.1021/ie200686q	journal	September 2011
A short history of SHELX Sheldrick, George M. Acta Crystallographica Section A Foundations of Crystallography, Vol. 64, Issue 1, p. 112-122 https://doi.org/10.1107/S0108767307043930	journal	December 2007
CO ₂ Capture in Metal-Organic Framework Adsorbents: An Engineering Perspective Hu, Zhigang; Wang, Yuxiang; Shah, Bhuvan B. Advanced Sustainable Systems, Vol. 3, Issue 1 https://doi.org/10.1002/adsu.201800080	journal	November 2018
UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations Rappe, A. K.; Casewit, C. J.; Colwell, K. S. Journal of the American Chemical Society, Vol. 114, Issue 25, p. 10024-10035 https://doi.org/10.1021/ja00051a040	journal	December 1992
New synthetic routes towards MOF production at scale Rubio-Martinez, Marta; Avci-Camur, Ceren; Thornton, Aaron W. Chemical Society Reviews, Vol. 46, Issue 11 https://doi.org/10.1039/C7CS00109F	journal	January 2017
Crystal structure refinement with SHELXL Sheldrick, George M. Acta Crystallographica Section C Structural Chemistry, Vol. 71, Issue 1, p. 3-8 https://doi.org/10.1107/S2053229614024218	journal	January 2015
Flue-gas and direct-air capture of CO ₂ by porous metal–organic materials Madden, David G.; Scott, Hayley S.; Kumar, Amrit Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 375, Issue 2084 https://doi.org/10.1098/rsta.2016.0025	journal	January 2017
Adsorption and diffusion of moisture and wet flue gas on silica gel Goyal, Prerna; Purdue, Mark J.; Farooq, Shamsuzzaman Chemical Engineering Science, Vol. 227 https://doi.org/10.1016/j.ces.2020.115890	journal	December 2020
Do adsorbent screening metrics predict process performance? A process optimisation based study for post-combustion capture of CO2 Rajagopalan, Ashwin Kumar; Avila, Adolfo M.; Rajendran, Arvind International Journal of Greenhouse Gas Control, Vol. 46 https://doi.org/10.1016/j.ijggc.2015.12.033	journal	March 2016
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
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
Measurement of competitive $$\text {CO}_{2}$$ and $$\text {H}_{2}\text {O}$$ adsorption on zeolite 13X for post-combustion $$\text {CO}_{2}$$ capture Wilkins, Nicholas Stiles; Sawada, James A.; Rajendran, Arvind Adsorption, Vol. 26, Issue 5 https://doi.org/10.1007/s10450-020-00199-3	journal	January 2020
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
CO ₂ capture under humid conditions in metal–organic frameworks González-Zamora, Eduardo; Ibarra, Ilich A. Materials Chemistry Frontiers, Vol. 1, Issue 8 https://doi.org/10.1039/C6QM00301J	journal	January 2017
A Zeolite-Like Zinc Triazolate Framework with High Gas Adsorption and Separation Performance Lin, Rui-Biao; Chen, Da; Lin, Yan-Yong Inorganic Chemistry, Vol. 51, Issue 18 https://doi.org/10.1021/ic301463z	journal	September 2012
Chemistry of coordination space of porous coordination polymers Kitagawa, S.; Matsuda, R. Coordination Chemistry Reviews, Vol. 251, Issue 21-24 https://doi.org/10.1016/j.ccr.2007.07.009	journal	November 2007
Microporous metal-organic framework with potential for carbon dioxide capture at ambient conditions Xiang, Shengchang; He, Yabing; Zhang, Zhangjing Nature Communications, Vol. 3, Issue 1 https://doi.org/10.1038/ncomms1956	journal	January 2012
Pillaring Zn-Triazolate Layers with Flexible Aliphatic Dicarboxylates into Three-Dimensional Metal−Organic Frameworks Lin, Yan-Yong; Zhang, Yue-Biao; Zhang, Jie-Peng Crystal Growth & Design, Vol. 8, Issue 10 https://doi.org/10.1021/cg800289c	journal	September 2008
CO2 capture via adsorption in amine-functionalized sorbents Darunte, Lalit A.; Walton, Krista S.; Sholl, David S. Current Opinion in Chemical Engineering, Vol. 12 https://doi.org/10.1016/j.coche.2016.03.002	journal	May 2016
Synthesis, Crystal Structure, and Luminescent Property of One 3D Porous Metal-Organic Framework With dmc Topology Wei, Xue-Feng; Miao, Juan; Shi, Ling-Ling Synthesis and Reactivity in Inorganic, Metal-Organic, and Nano-Metal Chemistry, Vol. 46, Issue 3 https://doi.org/10.1080/15533174.2014.988251	journal	June 2015
Stability of amine-functionalized CO ₂ adsorbents: a multifaceted puzzle Jahandar Lashaki, Masoud; Khiavi, Soheil; Sayari, Abdelhamid Chemical Society Reviews, Vol. 48, Issue 12 https://doi.org/10.1039/C8CS00877A	journal	January 2019
Performance-Based Screening of Porous Materials for Carbon Capture Farmahini, Amir H.; Krishnamurthy, Shreenath; Friedrich, Daniel Chemical Reviews, Vol. 121, Issue 17 https://doi.org/10.1021/acs.chemrev.0c01266	journal	August 2021
Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew Horn, Hans W.; Swope, William C.; Pitera, Jed W. The Journal of Chemical Physics, Vol. 120, Issue 20 https://doi.org/10.1063/1.1683075	journal	May 2004
Development of a General Evaluation Metric for Rapid Screening of Adsorbent Materials for Postcombustion CO ₂ Capture Leperi, Karson T.; Chung, Yongchul G.; You, Fengqi ACS Sustainable Chemistry & Engineering, Vol. 7, Issue 13 https://doi.org/10.1021/acssuschemeng.9b01418	journal	May 2019
SciPy 1.0: fundamental algorithms for scientific computing in Python Virtanen, Pauli; Gommers, Ralf; Oliphant, Travis E. Nature Methods https://doi.org/10.1038/s41592-019-0686-2	journal	February 2020

Similar Records

Amine Functionalized Nanoporous Materials for Carbon Dioxide Capture

Book · Wed Apr 04 00:00:00 EDT 2007 · OSTI ID:918845

Comparative Study of Molecular Basket Sorbents Consisting of Polyallylamine and Polyethylenimine Functionalized SBA‐15 for CO ₂ Capture from Flue Gas

Journal Article · Thu Oct 19 00:00:00 EDT 2017 · ChemPhysChem · OSTI ID:1400327

Amine-functionalized porous organic polymers for carbon dioxide capture

Journal Article · Wed Jun 15 00:00:00 EDT 2022 · Materials Advances · OSTI ID:1888542

Related Subjects

Science & Technology - Other Topics

A scalable metal-organic framework as a durable physisorbent for carbon dioxide capture

Citation Formats

References (67)

Similar Records

Related Subjects