Hysteresis curves reveal the microscopic origin of cooperative CO2 adsorption in diamine-appended metal–organic frameworks

Edison, John R.; Siegelman, Rebecca L.; Preisler, Zdeněk; Kundu, Joyjit; Long, Jeffrey R.; Whitelam, Stephen

doi:10.1063/5.0054794

Title: Hysteresis curves reveal the microscopic origin of cooperative CO₂ adsorption in diamine-appended metal–organic frameworks

Abstract

Diamine-appended metal-organic frameworks (MOFs) of the form Mg₂(dobpdc)(diamine)₂ adsorb CO₂ in a cooperative fashion, exhibiting an abrupt change in CO₂ occupancy with pressure or temperature. This change is accompanied by hysteresis. While hysteresis is suggestive of a first-order phase transition, we show that hysteretic temperature-occupancy curves associated with this material are qualitatively unlike the curves seen in the presence of a phase transition; they are instead consistent with CO₂ chain polymerization, within one-dimensional channels in the MOF, in the absence of a phase transition. Here, our simulations of a microscopic model reproduce this dynamics, providing a physical understanding of cooperative adsorption in this industrially important class of materials.

Authors:

^[1];

^[2]; Preisler, Zdeněk ^[3];

^[4]; Long, Jeffrey R. ^[2];

^[3]

Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Molecular Foundry; Brandeis Univ., Waltham, MA (United States)
Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Molecular Foundry
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Molecular Foundry; Duke Univ., Durham, NC (United States)

Publication Date:: Tue Jun 01 00:00:00 EDT 2021

Research Org.:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1817883

Alternate Identifier(s):: OSTI ID: 1785397

Grant/Contract Number:: AC02-05CH11231; SC0001015

Resource Type:: Accepted Manuscript

Journal Name:: Journal of Chemical Physics

Additional Journal Information:: Journal Volume: 154; Journal Issue: 21; Journal ID: ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Monte Carlo methods; Isobars; News and events; Magnetic hysteresis; Phase transitions; Free energy landscapes; Adsorption

Citation Formats


                    Edison, John R., Siegelman, Rebecca L., Preisler, Zdeněk, Kundu, Joyjit, Long, Jeffrey R., and Whitelam, Stephen. Hysteresis curves reveal the microscopic origin of cooperative CO2 adsorption in diamine-appended metal–organic frameworks.  United States: N. p., 2021. 
Web.  doi:10.1063/5.0054794.

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                    Edison, John R., Siegelman, Rebecca L., Preisler, Zdeněk, Kundu, Joyjit, Long, Jeffrey R., & Whitelam, Stephen. Hysteresis curves reveal the microscopic origin of cooperative CO2 adsorption in diamine-appended metal–organic frameworks.  United States.  https://doi.org/10.1063/5.0054794

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                    Edison, John R., Siegelman, Rebecca L., Preisler, Zdeněk, Kundu, Joyjit, Long, Jeffrey R., and Whitelam, Stephen. Tue .  
"Hysteresis curves reveal the microscopic origin of cooperative CO2 adsorption in diamine-appended metal–organic frameworks".  United States.  https://doi.org/10.1063/5.0054794.  https://www.osti.gov/servlets/purl/1817883.

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@article{osti_1817883,

  title        = {Hysteresis curves reveal the microscopic origin of cooperative CO2 adsorption in diamine-appended metal–organic frameworks},

  author       = {Edison, John R. and Siegelman, Rebecca L. and Preisler, Zdeněk and Kundu, Joyjit and Long, Jeffrey R. and Whitelam, Stephen},

  abstractNote = {Diamine-appended metal-organic frameworks (MOFs) of the form Mg2(dobpdc)(diamine)2 adsorb CO2 in a cooperative fashion, exhibiting an abrupt change in CO2 occupancy with pressure or temperature. This change is accompanied by hysteresis. While hysteresis is suggestive of a first-order phase transition, we show that hysteretic temperature-occupancy curves associated with this material are qualitatively unlike the curves seen in the presence of a phase transition; they are instead consistent with CO2 chain polymerization, within one-dimensional channels in the MOF, in the absence of a phase transition. Here, our simulations of a microscopic model reproduce this dynamics, providing a physical understanding of cooperative adsorption in this industrially important class of materials.},

  doi          = {10.1063/5.0054794},

  journal      = {Journal of Chemical Physics},

  number       = 21,

  volume       = 154,

  place        = {United States},

  year         = {Tue Jun 01 00:00:00 EDT 2021},

  month        = {Tue Jun 01 00:00:00 EDT 2021}

}

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Works referenced in this record:

Overstretching B-DNA: The Elastic Response of Individual Double-Stranded and Single-Stranded DNA Molecules
journal, February 1996

Smith, S. B.; Cui, Y.; Bustamante, C.
Science, Vol. 271, Issue 5250
DOI: 10.1126/science.271.5250.795

Rounding of Phase Transitions in Cylindrical Pores
journal, July 2010

Wilms, Dorothea; Winkler, Alexander; Virnau, Peter
Physical Review Letters, Vol. 105, Issue 4
DOI: 10.1103/physrevlett.105.045701

Two distinct overstretched DNA states
journal, April 2010

Fu, Hongxia; Chen, Hu; Marko, John F.
Nucleic Acids Research, Vol. 38, Issue 16
DOI: 10.1093/nar/gkq309

Adsorption induced transitions in soft porous crystals: An osmotic potential approach to multistability and intermediate structures
journal, May 2013

Bousquet, David; Coudert, François-Xavier; Fossati, Alexandre G. J.
The Journal of Chemical Physics, Vol. 138, Issue 17
DOI: 10.1063/1.4802888

Mechanism of Breathing Transitions in Metal–Organic Frameworks
journal, July 2011

Triguero, Carles; Coudert, François-Xavier; Boutin, Anne
The Journal of Physical Chemistry Letters, Vol. 2, Issue 16
DOI: 10.1021/jz2008769

Diffusion-Controlled Hysteresis
journal, July 2005

Ravikovitch, Peter I.; Neimark, Alexander V.
Adsorption, Vol. 11, Issue S1
DOI: 10.1007/s10450-005-5935-2

A general approach to hysteresis
journal, January 1952

Everett, D. H.; Whitton, W. I.
Transactions of the Faraday Society, Vol. 48
DOI: 10.1039/tf9524800749

Carbon Dioxide Capture in Metal–Organic Frameworks
journal, September 2011

Sumida, Kenji; Rogow, David L.; Mason, Jarad A.
Chemical Reviews, Vol. 112, Issue 2, p. 724-781
DOI: 10.1021/cr2003272

Application of a High-Throughput Analyzer in Evaluating Solid Adsorbents for Post-Combustion Carbon Capture via Multicomponent Adsorption of CO ₂ , N ₂ , and H ₂ O
journal, April 2015

Mason, Jarad A.; McDonald, Thomas M.; Bae, Tae-Hyun
Journal of the American Chemical Society, Vol. 137, Issue 14
DOI: 10.1021/jacs.5b00838

Fluids adsorbed in narrow pores: phase equilibria and structure
journal, November 1990

Evans, R.
Journal of Physics: Condensed Matter, Vol. 2, Issue 46
DOI: 10.1088/0953-8984/2/46/001

Statistical mechanical model of gas adsorption in porous crystals with dynamic moieties
journal, January 2017

Simon, Cory M.; Braun, Efrem; Carraro, Carlo
Proceedings of the National Academy of Sciences, Vol. 114, Issue 3
DOI: 10.1073/pnas.1613874114

Highly efficient separation of carbon dioxide by a metal-organic framework replete with open metal sites
journal, November 2009

Britt, D.; Furukawa, H.; Wang, B.
Proceedings of the National Academy of Sciences, Vol. 106, Issue 49, p. 20637-20640
DOI: 10.1073/pnas.0909718106

There and (Slowly) Back Again: Entropy-Driven Hysteresis in a Model of DNA Overstretching
journal, April 2008

Whitelam, Stephen; Pronk, Sander; Geissler, Phillip L.
Biophysical Journal, Vol. 94, Issue 7
DOI: 10.1529/biophysj.107.117036

Exact stochastic simulation of coupled chemical reactions
journal, December 1977

Gillespie, Daniel T.
The Journal of Physical Chemistry, Vol. 81, Issue 25
DOI: 10.1021/j100540a008

Controlling Cooperative CO ₂ Adsorption in Diamine-Appended Mg ₂ (dobpdc) Metal–Organic Frameworks
journal, July 2017

Siegelman, Rebecca L.; McDonald, Thomas M.; Gonzalez, Miguel I.
Journal of the American Chemical Society, Vol. 139, Issue 30
DOI: 10.1021/jacs.7b05858

Hysteresis and Scanning Behavior of Mesoporous Molecular Sieves
journal, August 2005

Tompsett, G. A.; Krogh, L.; Griffin, D. W.
Langmuir, Vol. 21, Issue 18
DOI: 10.1021/la050068y

Cooperative insertion of CO2 in diamine-appended metal-organic frameworks
journal, March 2015

McDonald, Thomas M.; Mason, Jarad A.; Kong, Xueqian
Nature, Vol. 519, Issue 7543
DOI: 10.1038/nature14327

Capture of Carbon Dioxide from Air and Flue Gas in the Alkylamine-Appended Metal–Organic Framework mmen-Mg₂(dobpdc)
journal, April 2012

McDonald, Thomas M.; Lee, Woo Ram; Mason, Jarad A.
Journal of the American Chemical Society, Vol. 134, Issue 16, p. 7056-7065
DOI: 10.1021/ja300034j

Thermodynamics of Guest-Induced Structural Transitions in Hybrid Organic−Inorganic Frameworks
journal, October 2008

Coudert, François-Xavier; Jeffroy, Marie; Fuchs, Alain H.
Journal of the American Chemical Society, Vol. 130, Issue 43
DOI: 10.1021/ja805129c

An experimental approach to test sorption mechanisms in MCM-41
journal, April 2001

McNall, M.; Laurence, R. L.; Curtis Conner, W.
Microporous and Mesoporous Materials, Vol. 44-45
DOI: 10.1016/s1387-1811(01)00252-9

The Chemistry and Applications of Metal-Organic Frameworks
journal, August 2013

Furukawa, H.; Cordova, K. E.; O'Keeffe, M.
Science, Vol. 341, Issue 6149, p. 1230444-1230444
DOI: 10.1126/science.1230444

Unexpected Diffusion Anisotropy of Carbon Dioxide in the Metal–Organic Framework Zn ₂ (dobpdc)
journal, January 2018

Forse, Alexander C.; Gonzalez, Miguel I.; Siegelman, Rebecca L.
Journal of the American Chemical Society, Vol. 140, Issue 5
DOI: 10.1021/jacs.7b09453

On the Thermodynamics of Framework Breathing: A Free Energy Model for Gas Adsorption in MIL-53
journal, May 2013

Ghysels, An; Vanduyfhuys, Louis; Vandichel, Matthias
The Journal of Physical Chemistry C, Vol. 117, Issue 22
DOI: 10.1021/jp311601q

Activation-Dependent Breathing in a Flexible Metal-Organic Framework and the Effects of Repeated Sorption/Desorption Cycling
journal, June 2017

Engel, Emile R.; Jouaiti, Abdelaziz; Bezuidenhout, Charl X.
Angewandte Chemie International Edition, Vol. 56, Issue 30
DOI: 10.1002/anie.201704044

Understanding adsorption/desorption hysteresis for fluids in mesoporous materials using simple molecular models and classical density functional theory
journal, September 2012

Monson, P. A.
Microporous and Mesoporous Materials, Vol. 160
DOI: 10.1016/j.micromeso.2012.04.043

A general approach to hysteresis. Part 3.—A formal treatment of the independent domain model of hysteresis
journal, January 1954

Everett, D. H.
Trans. Faraday Soc., Vol. 50, Issue 0
DOI: 10.1039/TF9545001077

On the Thermodynamics of Framework Breathing: A Free Energy Model for Gas Adsorption in MIL-53
journal, May 2013

Ghysels, An; Vanduyfhuys, Louis; Vandichel, Matthias
The Journal of Physical Chemistry C, Vol. 117, Issue 22
DOI: 10.1021/jp311601q

Two distinct overstretched DNA states
journal, April 2010

Fu, Hongxia; Chen, Hu; Marko, John F.
Nucleic Acids Research, Vol. 38, Issue 16
DOI: 10.1093/nar/gkq309

There and (slowly) back again: Entropy-driven hysteresis in a model of DNA overstretching
text, January 2006

Whitelam, Stephen; Pronk, Sander; Geissler, Phillip L.
arXiv
DOI: 10.48550/arxiv.cond-mat/0607572

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Title: Hysteresis curves reveal the microscopic origin of cooperative CO2 adsorption in diamine-appended metal–organic frameworks

Abstract

Citation Formats

Overstretching B-DNA: The Elastic Response of Individual Double-Stranded and Single-Stranded DNA Molecules journal, February 1996

Rounding of Phase Transitions in Cylindrical Pores journal, July 2010

Two distinct overstretched DNA states journal, April 2010

Adsorption induced transitions in soft porous crystals: An osmotic potential approach to multistability and intermediate structures journal, May 2013

Mechanism of Breathing Transitions in Metal–Organic Frameworks journal, July 2011

Diffusion-Controlled Hysteresis journal, July 2005

A general approach to hysteresis journal, January 1952

Carbon Dioxide Capture in Metal–Organic Frameworks journal, September 2011

Application of a High-Throughput Analyzer in Evaluating Solid Adsorbents for Post-Combustion Carbon Capture via Multicomponent Adsorption of CO 2 , N 2 , and H 2 O journal, April 2015

Fluids adsorbed in narrow pores: phase equilibria and structure journal, November 1990

Statistical mechanical model of gas adsorption in porous crystals with dynamic moieties journal, January 2017

Highly efficient separation of carbon dioxide by a metal-organic framework replete with open metal sites journal, November 2009

There and (Slowly) Back Again: Entropy-Driven Hysteresis in a Model of DNA Overstretching journal, April 2008

Exact stochastic simulation of coupled chemical reactions journal, December 1977

Controlling Cooperative CO 2 Adsorption in Diamine-Appended Mg 2 (dobpdc) Metal–Organic Frameworks journal, July 2017

Hysteresis and Scanning Behavior of Mesoporous Molecular Sieves journal, August 2005

Cooperative insertion of CO2 in diamine-appended metal-organic frameworks journal, March 2015

Capture of Carbon Dioxide from Air and Flue Gas in the Alkylamine-Appended Metal–Organic Framework mmen-Mg2(dobpdc) journal, April 2012

Thermodynamics of Guest-Induced Structural Transitions in Hybrid Organic−Inorganic Frameworks journal, October 2008

An experimental approach to test sorption mechanisms in MCM-41 journal, April 2001

The Chemistry and Applications of Metal-Organic Frameworks journal, August 2013

Unexpected Diffusion Anisotropy of Carbon Dioxide in the Metal–Organic Framework Zn 2 (dobpdc) journal, January 2018

On the Thermodynamics of Framework Breathing: A Free Energy Model for Gas Adsorption in MIL-53 journal, May 2013

Activation-Dependent Breathing in a Flexible Metal-Organic Framework and the Effects of Repeated Sorption/Desorption Cycling journal, June 2017

Understanding adsorption/desorption hysteresis for fluids in mesoporous materials using simple molecular models and classical density functional theory journal, September 2012

A general approach to hysteresis. Part 3.—A formal treatment of the independent domain model of hysteresis journal, January 1954

On the Thermodynamics of Framework Breathing: A Free Energy Model for Gas Adsorption in MIL-53 journal, May 2013

Two distinct overstretched DNA states journal, April 2010

There and (slowly) back again: Entropy-driven hysteresis in a model of DNA overstretching text, January 2006

Title: Hysteresis curves reveal the microscopic origin of cooperative CO₂ adsorption in diamine-appended metal–organic frameworks

Overstretching B-DNA: The Elastic Response of Individual Double-Stranded and Single-Stranded DNA Molecules
journal, February 1996

Rounding of Phase Transitions in Cylindrical Pores
journal, July 2010

Two distinct overstretched DNA states
journal, April 2010

Adsorption induced transitions in soft porous crystals: An osmotic potential approach to multistability and intermediate structures
journal, May 2013

Mechanism of Breathing Transitions in Metal–Organic Frameworks
journal, July 2011

Diffusion-Controlled Hysteresis
journal, July 2005

A general approach to hysteresis
journal, January 1952

Carbon Dioxide Capture in Metal–Organic Frameworks
journal, September 2011

Application of a High-Throughput Analyzer in Evaluating Solid Adsorbents for Post-Combustion Carbon Capture via Multicomponent Adsorption of CO ₂ , N ₂ , and H ₂ O
journal, April 2015

Fluids adsorbed in narrow pores: phase equilibria and structure
journal, November 1990

Statistical mechanical model of gas adsorption in porous crystals with dynamic moieties
journal, January 2017

Highly efficient separation of carbon dioxide by a metal-organic framework replete with open metal sites
journal, November 2009

There and (Slowly) Back Again: Entropy-Driven Hysteresis in a Model of DNA Overstretching
journal, April 2008

Exact stochastic simulation of coupled chemical reactions
journal, December 1977

Controlling Cooperative CO ₂ Adsorption in Diamine-Appended Mg ₂ (dobpdc) Metal–Organic Frameworks
journal, July 2017

Hysteresis and Scanning Behavior of Mesoporous Molecular Sieves
journal, August 2005

Cooperative insertion of CO2 in diamine-appended metal-organic frameworks
journal, March 2015

Capture of Carbon Dioxide from Air and Flue Gas in the Alkylamine-Appended Metal–Organic Framework mmen-Mg₂(dobpdc)
journal, April 2012

Thermodynamics of Guest-Induced Structural Transitions in Hybrid Organic−Inorganic Frameworks
journal, October 2008

An experimental approach to test sorption mechanisms in MCM-41
journal, April 2001

The Chemistry and Applications of Metal-Organic Frameworks
journal, August 2013

Unexpected Diffusion Anisotropy of Carbon Dioxide in the Metal–Organic Framework Zn ₂ (dobpdc)
journal, January 2018

On the Thermodynamics of Framework Breathing: A Free Energy Model for Gas Adsorption in MIL-53
journal, May 2013

Activation-Dependent Breathing in a Flexible Metal-Organic Framework and the Effects of Repeated Sorption/Desorption Cycling
journal, June 2017

Understanding adsorption/desorption hysteresis for fluids in mesoporous materials using simple molecular models and classical density functional theory
journal, September 2012

A general approach to hysteresis. Part 3.—A formal treatment of the independent domain model of hysteresis
journal, January 1954

On the Thermodynamics of Framework Breathing: A Free Energy Model for Gas Adsorption in MIL-53
journal, May 2013

Two distinct overstretched DNA states
journal, April 2010

There and (slowly) back again: Entropy-driven hysteresis in a model of DNA overstretching
text, January 2006