Techno-economic Analysis of Metal–Organic Frameworks for Hydrogen and Natural Gas Storage

DeSantis, Daniel; Mason, Jarad A.; James, Brian D.; Houchins, Cassidy; Long, Jeffrey R.; Veenstra, Mike

doi:10.1021/acs.energyfuels.6b02510

Techno-economic Analysis of Metal–Organic Frameworks for Hydrogen and Natural Gas Storage

Journal Article · Tue Jan 03 23:00:00 EST 2017 · Energy and Fuels

DOI:https://doi.org/10.1021/acs.energyfuels.6b02510· OSTI ID:1889787

^[1]; Mason, Jarad A. ^[2]; James, Brian D. ^[3]; Houchins, Cassidy ^[3]; Long, Jeffrey R. ^[2]; Veenstra, Mike ^[4]

Strategic Analysis, Inc., Arlington, VA (United States); Strategic Analysis, Inc.
Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Strategic Analysis, Inc., Arlington, VA (United States)
Ford Motor Company, Dearborn, MI (United States)

A techno-economic analysis was conducted for metal-organic framework (MOF) adsorbents, which are promising candidates for light-duty vehicle onboard natural gas and hydrogen storage. The goal of this analysis was to understand cost drivers for large-scale (2.5 Mkg/year) MOF synthesis and to identify potential pathways to achieving a production cost of less than $$\$$10$/kg MOF. Four MOFs were analyzed with four different metal centers and three different linkers: Ni₂(dobdc) (dobdc^4– = 2,5-dioxido-1,4-benzenedicarboxylate; Ni-MOF-74), Mg₂(dobdc; Mg-MOF-74), Zn₄O(bdc)₃ (bdc^2– = 1,4-benzenedicarboxylate; MOF-5), and Cu₃(btc)₂ (btc^3– = 1,3,5-benzenetricarboxylate; HKUST-1). Baseline costs are projected to range from $$\$$35$/kg to $$\$$71$/kg predicated on organic solvent (solvothermal) syntheses using an engineering scale-up of laboratory demonstrated synthesis procedures and conditions. Two alternative processes were analyzed to evaluate the cost impact of reducing solvent usage: liquid assisted grinding (LAG) and aqueous synthesis. Cost projections from these alternative synthesis approaches range from $$\$$13$/kg to $$\$$36$/kg (representing 34%-83% reductions), demonstrating the large impact of solvent on the baseline analysis. Lastly, sensitivity studies were conducted to identify additional opportunities for achieving MOF production costs of less than $$\$$10$/kg.

View Accepted Manuscript (DOE)

Research Organization:: Strategic Analysis, Inc., Arlington, VA (United States)

Sponsoring Organization:: USDOE Advanced Research Projects Agency - Energy (ARPA-E)

Grant/Contract Number:: EE0007601

OSTI ID:: 1889787

Journal Information:: Energy and Fuels, Journal Name: Energy and Fuels Journal Issue: 2 Vol. 31; ISSN 0887-0624

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

References (17)

Ion- and Liquid-Assisted Grinding: Improved Mechanochemical Synthesis of Metal-Organic Frameworks Reveals Salt Inclusion and Anion Templating Friščić, Tomislav; Reid, David G.; Halasz, Ivan Angewandte Chemie, Vol. 122, Issue 4 https://doi.org/10.1002/ange.200906583	journal	December 2009
Industrial Outlook on Zeolites and Metal Organic Frameworks Yilmaz, Bilge; Trukhan, Natalia; MÜLler, Ulrich Chinese Journal of Catalysis, Vol. 33, Issue 1 https://doi.org/10.1016/S1872-2067(10)60302-6	journal	January 2012
Room temperature synthesis of metal-organic frameworks: MOF-5, MOF-74, MOF-177, MOF-199, and IRMOF-0 Tranchemontagne, David J.; Hunt, Joseph R.; Yaghi, Omar M. Tetrahedron, Vol. 64, Issue 36, p. 8553-8557 https://doi.org/10.1016/j.tet.2008.06.036	journal	September 2008
Mechanochemical Synthesis of Metal−Organic Frameworks: A Fast and Facile Approach toward Quantitative Yields and High Specific Surface Areas Klimakow, Maria; Klobes, Peter; Thünemann, Andreas F. Chemistry of Materials, Vol. 22, Issue 18 https://doi.org/10.1021/cm1012119	journal	September 2010
Metal–Organic Framework Materials with Ultrahigh Surface Areas: Is the Sky the Limit? Farha, Omar K.; Eryazici, Ibrahim; Jeong, Nak Cheon Journal of the American Chemical Society, Vol. 134, Issue 36, p. 15016-15021 https://doi.org/10.1021/ja3055639	journal	August 2012
M₂(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal–Organic Frameworks Exhibiting Increased Charge Density and Enhanced H₂ Binding at the Open Metal Sites Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R. Journal of the American Chemical Society, Vol. 136, Issue 34, p. 12119-12129 https://doi.org/10.1021/ja506230r	journal	August 2014
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
Real-time and in situ monitoring of mechanochemical milling reactions Friščić, Tomislav; Halasz, Ivan; Beldon, Patrick J. Nature Chemistry, Vol. 5, Issue 1 https://doi.org/10.1038/nchem.1505	journal	December 2012
An Efficient Synthesis Strategy for Metal-Organic Frameworks: Dry-Gel Synthesis of MOF-74 Framework with High Yield and Improved Performance Das, Atanu Kumar; Vemuri, Rama Sesha; Kutnyakov, Igor Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep28050	journal	June 2016
Evaluating metal–organic frameworks for natural gas storage Mason, Jarad A.; Veenstra, Mike; Long, Jeffrey R. Chemical Science, Vol. 5, Issue 1, p. 32-51 https://doi.org/10.1039/C3SC52633J	journal	January 2014
A water-based and high space-time yield synthetic route to MOF Ni ₂ (dhtp) and its linker 2,5-dihydroxyterephthalic acid Cadot, Stéphane; Veyre, Laurent; Luneau, Dominique J. Mater. Chem. A, Vol. 2, Issue 42 https://doi.org/10.1039/C4TA03066D	journal	January 2014
Optimised room temperature, water-based synthesis of CPO-27-M metal–organic frameworks with high space-time yields Garzón-Tovar, L.; Carné-Sánchez, A.; Carbonell, C. Journal of Materials Chemistry A, Vol. 3, Issue 41 https://doi.org/10.1039/C5TA04923G	journal	January 2015
Hydrogen storage in metal–organic frameworks Collins, David J.; Zhou, Hong-Cai Journal of Materials Chemistry, Vol. 17, Issue 30 https://doi.org/10.1039/b702858j	journal	January 2007
New opportunities for materials synthesis using mechanochemistry Friščić, Tomislav Journal of Materials Chemistry, Vol. 20, Issue 36 https://doi.org/10.1039/c0jm00872a	journal	January 2010
Stepping on the gas Service, R. F. Science, Vol. 346, Issue 6209 https://doi.org/10.1126/science.346.6209.538	journal	October 2014
Facile Preparation of Efficient WO₃Photocatalysts Based on Surface Modification Liu, Min; Li, Hongmei; Zeng, Yangsu Journal of Nanomaterials, Vol. 2015 https://doi.org/10.1155/2015/502514	journal	January 2015
Clean and Efficient Synthesis Using Mechanochemistry: Coordination Polymers, Metal-Organic Frameworks and Metallodrugs Friščić, Tomislav; Halasz, Ivan; Štrukil, Vjekoslav Croatica Chemica Acta, Vol. 85, Issue 3 https://doi.org/10.5562/cca2014	journal	January 2012

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Record Atmospheric Fresh Water Capture and Heat Transfer with a Material Operating at the Water Uptake Reversibility Limit Rieth, Adam J.; Yang, Sungwoo; Wang, Evelyn N. ACS Central Science, Vol. 3, Issue 6 https://doi.org/10.1021/acscentsci.7b00186	journal	May 2017
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Lipase and Laccase Encapsulated on Zeolite Imidazolate Framework: Enzyme Activity and Stability from Voltammetric Measurements Naseri, Maryam; Pitzalis, Federica; Carucci, Cristina ChemCatChem, Vol. 10, Issue 23 https://doi.org/10.1002/cctc.201801293	journal	November 2018
Engineered MOFs and Enzymes for the Synthesis of Active Pharmaceutical Ingredients Cirujano, Francisco G. ChemCatChem, Vol. 11, Issue 23 https://doi.org/10.1002/cctc.201900131	journal	March 2019
Pd Supported IRMOF-3: Heterogeneous, Efficient and Reusable Catalyst for Heck Reaction Nuri, Ayat; Vucetic, Nemanja; Smått, Jan-Henrik Catalysis Letters, Vol. 149, Issue 7 https://doi.org/10.1007/s10562-019-02756-0	journal	April 2019
High-capacity methane storage in flexible alkane-linked porous aromatic network polymers Rozyyev, Vepa; Thirion, Damien; Ullah, Ruh Nature Energy, Vol. 4, Issue 7 https://doi.org/10.1038/s41560-019-0427-x	journal	July 2019
Kinetic stability of metal–organic frameworks for corrosive and coordinating gas capture Rieth, Adam J.; Wright, Ashley M.; Dincă, Mircea Nature Reviews Materials, Vol. 4, Issue 11 https://doi.org/10.1038/s41578-019-0140-1	journal	September 2019
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
Selective high adsorption capacity for Congo red dye of a new 3D supramolecular complex and its magnetic hybrid Beheshti, Azizolla; Hashemi, Faezeh; Behvandi, Fatemeh Inorganic Chemistry Frontiers, Vol. 5, Issue 3 https://doi.org/10.1039/c7qi00728k	journal	January 2018
Flying MOFs: polyamine-containing fluidized MOF/SiO ₂ hybrid materials for CO ₂ capture from post-combustion flue gas Luz, Ignacio; Soukri, Mustapha; Lail, Marty Chemical Science, Vol. 9, Issue 20 https://doi.org/10.1039/c7sc05372j	journal	January 2018
A water-based room temperature synthesis of ZIF-93 for CO ₂ adsorption Ramos-Fernandez, E. V.; Grau-Atienza, A.; Farrusseng, D. Journal of Materials Chemistry A, Vol. 6, Issue 14 https://doi.org/10.1039/c7ta09807c	journal	January 2018
Green applications of metal–organic frameworks Ajoyan, Zvart; Marino, Paola; Howarth, Ashlee J. CrystEngComm, Vol. 20, Issue 39 https://doi.org/10.1039/c8ce01002a	journal	January 2018
Metal–organic frameworks for dye sorption: structure–property relationships and scalable deposition of the membrane adsorber Chi, Heng-Yu; Hung, Shao-Hsiang; Kan, Ming-Yang CrystEngComm, Vol. 20, Issue 36 https://doi.org/10.1039/c8ce01066h	journal	January 2018
An analysis of the effect of zirconium precursors of MOF-808 on its thermal stability, and structural and surface properties Ardila-Suárez, Carolina; Rodríguez-Pereira, Jhonatan; Baldovino-Medrano, Víctor G. CrystEngComm, Vol. 21, Issue 9 https://doi.org/10.1039/c8ce01722k	journal	January 2019
Anionic and neutral 2D indium metal–organic frameworks as catalysts for the Ugi one-pot multicomponent reaction Reinares-Fisac, Daniel; Aguirre-Díaz, Lina M.; Iglesias, Marta Dalton Transactions, Vol. 48, Issue 9 https://doi.org/10.1039/c8dt04977g	journal	January 2019
An assessment of strategies for the development of solid-state adsorbents for vehicular hydrogen storage Allendorf, Mark D.; Hulvey, Zeric; Gennett, Thomas Energy & Environmental Science, Vol. 11, Issue 10 https://doi.org/10.1039/c8ee01085d	journal	January 2018
Four 3D coordination polymers based on layers with single syn–anti carboxylate bridges: synthesis, structures, and magnetic properties Gao, Wei; Liu, Feng; Zhang, Xiu-Mei RSC Advances, Vol. 8, Issue 25 https://doi.org/10.1039/c8ra01900b	journal	January 2018
Gold@Prussian blue analogue core–shell nanoheterostructures: their optical and magnetic properties Maurin-Pasturel, Guillaume; Mamontova, Ekaterina; Palacios, Maria A. Dalton Transactions, Vol. 48, Issue 18 https://doi.org/10.1039/c9dt00141g	journal	January 2019
Enhancement of gravimetric forced flow through system to determine sorption, swelling, and mass transfer characteristics of liquid sorbents Dresp, G.; Petermann, M.; Fieback, T. M. Review of Scientific Instruments, Vol. 89, Issue 4 https://doi.org/10.1063/1.5011125	journal	April 2018
Recent advances and opportunities in the treatment of hydrocarbons and oils: Metal-organic frameworks-based approaches Kumar, Vanish; Vellingiri, Kowsalya; Kukkar, Deepak Critical Reviews in Environmental Science and Technology, Vol. 49, Issue 7 https://doi.org/10.1080/10643389.2018.1554402	journal	January 2019

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