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

Siegelman, Rebecca L.; McDonald, Thomas M.; Gonzalez, Miguel I.; Martell, Jeffrey D.; Milner, Phillip J.; Mason, Jarad A.; Berger, Adam H.; Bhown, Abhoyjit S.; Long, Jeffrey R.

doi:10.1021/jacs.7b05858

Title: Controlling Cooperative CO ₂ Adsorption in Diamine-Appended Mg ₂ (dobpdc) Metal–Organic Frameworks

Full Record
Other Related Research

Authors:

Siegelman, Rebecca L. ^[1]; McDonald, Thomas M. ^[1]; Gonzalez, Miguel I. ^[1]; Martell, Jeffrey D. ^[1]; Milner, Phillip J. ^[1]; Mason, Jarad A. ^[1]; Berger, Adam H. ^[2]; Bhown, Abhoyjit S. ^[2];

^[3]

Department of Chemistry, University of California, Berkeley, California 94720, United States
Electric Power Research Institute (EPRI), 3420 Hillview Avenue, Palo Alto, California 94304, United States
Department of Chemistry, University of California, Berkeley, California 94720, United States; Department of Chemical and Biomolecular Engineering, University of California, Berkeley, California 94720, United States; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States

Publication Date:: Tue Jul 18 00:00:00 EDT 2017

Research Org.:: Energy Frontier Research Centers (EFRC) (United States). Center for Gas Separations Relevant to Clean Energy Technologies (CGS)

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

OSTI Identifier:: 1389024

DOE Contract Number:: SC0001015

Resource Type:: Journal Article

Journal Name:: Journal of the American Chemical Society

Additional Journal Information:: Journal Volume: 139; Journal Issue: 30; Related Information: CGS partners with University of California, Berkeley; University of California, Davis; Lawrence Berkeley National Laboratory; University of Minnesota; National Energy Technology Laboratory; Texas A&M University; Journal ID: ISSN 0002-7863

Publisher:: American Chemical Society (ACS)

Country of Publication:: United States

Language:: English

Subject:: membrane, carbon capture, materials and chemistry by design, synthesis (novel materials), synthesis (self-assembly), synthesis (scalable processing)

Citation Formats


                    Siegelman, Rebecca L., McDonald, Thomas M., Gonzalez, Miguel I., Martell, Jeffrey D., Milner, Phillip J., Mason, Jarad A., Berger, Adam H., Bhown, Abhoyjit S., and Long, Jeffrey R. Controlling Cooperative CO 2 Adsorption in Diamine-Appended Mg 2 (dobpdc) Metal–Organic Frameworks.  United States: N. p., 2017. 
        Web.  doi:10.1021/jacs.7b05858.

Copy to clipboard


                    Siegelman, Rebecca L., McDonald, Thomas M., Gonzalez, Miguel I., Martell, Jeffrey D., Milner, Phillip J., Mason, Jarad A., Berger, Adam H., Bhown, Abhoyjit S., & Long, Jeffrey R. Controlling Cooperative CO 2 Adsorption in Diamine-Appended Mg 2 (dobpdc) Metal–Organic Frameworks.  United States.  https://doi.org/10.1021/jacs.7b05858

Copy to clipboard


                    Siegelman, Rebecca L., McDonald, Thomas M., Gonzalez, Miguel I., Martell, Jeffrey D., Milner, Phillip J., Mason, Jarad A., Berger, Adam H., Bhown, Abhoyjit S., and Long, Jeffrey R. 2017.  
        "Controlling Cooperative CO 2 Adsorption in Diamine-Appended Mg 2 (dobpdc) Metal–Organic Frameworks".  United States.  https://doi.org/10.1021/jacs.7b05858.

Copy to clipboard


                    
@article{osti_1389024,

  title        = {Controlling Cooperative CO 2 Adsorption in Diamine-Appended Mg 2 (dobpdc) Metal–Organic Frameworks},

  author       = {Siegelman, Rebecca L. and McDonald, Thomas M. and Gonzalez, Miguel I. and Martell, Jeffrey D. and Milner, Phillip J. and Mason, Jarad A. and Berger, Adam H. and Bhown, Abhoyjit S. and Long, Jeffrey R.},

  abstractNote = {},

  doi          = {10.1021/jacs.7b05858},

  url          = {https://www.osti.gov/biblio/1389024},
  journal      = {Journal of the American Chemical Society},

  issn         = {0002-7863},

  number       = 30,

  volume       = 139,

  place        = {United States},

  year         = {Tue Jul 18 00:00:00 EDT 2017},

  month        = {Tue Jul 18 00:00:00 EDT 2017}

}

Copy to clipboard

Journal Article:

https://doi.org/10.1021/jacs.7b05858

Other availability

Find in Google Scholar

Search WorldCat to find libraries that may hold this journal

Save / Share:

Export Metadata

Save to My Library

Similar records in OSTI.GOV collections:

Amine Dynamics in Diamine-Appended Mg₂(dobpdc) Metal–Organic Frameworks

Journal Article Xu, Jun; Liu, Yifei; Lipton, Andrew; ... - Journal of Physical Chemistry Letters

In this work, variable-temperature ¹⁵N solid-state NMR spectroscopy is used to uncover the dynamics of three diamines appended to the metal–organic framework Mg₂(dobpdc) (dobpdc^4– = 4,4'-dioxidobiphenyl-3,3'-dicarboxylate), an important family of CO₂ capture materials. The results imply both bound and free amine nitrogen environments exist when diamines are coordinated to the framework open Mg²⁺ sites. There are rapid exchanges between two nitrogen environments for all three diamines, the rates and energetics of which are quantified by ¹⁵N solid-state NMR data and corroborated by density functional theory calculations and molecular dynamics simulations. The activation energy for the exchange provides a measure ofmore »« less
Cited by 9
https://doi.org/10.1021/acs.jpclett.9b02883

Full Text Available
Kinetics of cooperative CO2 adsorption in diamine-appended variants of the metal–organic framework Mg2(dobpdc)

Journal Article Martell, Jeffrey; Milner, Phillip; Siegelman, Rebecca; ... - Chemical Science

Carbon capture and sequestration is a key element of global initiatives to minimize anthropogenic greenhouse gas emissions. Although many investigations of new candidate CO2 capture materials focus on equilibrium adsorption properties, it is also critical to consider adsorption/desorption kinetics when evaluating adsorbent performance. Diamine-appended variants of the metal-organic framework Mg2(dobpdc) (dobpdc4- = 4,4'-dioxidobiphenyl-3,3'-dicarboxylate) are promising materials for CO2 capture because of their cooperative chemisorption mechanism and associated step-shaped equilibrium isotherms, which enable large working capacities to be accessed with small temperature swings. However, the adsorption/desorption kinetics of these unique materials remain understudied. More generally, despite the necessity of kinetics characterizationmore »« less
Cited by 28
https://doi.org/10.1039/d0sc01087a
Hysteresis curves reveal the microscopic origin of cooperative CO₂ adsorption in diamine-appended metal–organic frameworks

Journal Article Edison, John; Siegelman, Rebecca; Preisler, Zdeněk; ... - Journal of Chemical Physics

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 cooperativemore »« less
https://doi.org/10.1063/5.0054794

Full Text Available
Overcoming double-step CO ₂ adsorption and minimizing water co-adsorption in bulky diamine-appended variants of Mg ₂ (dobpdc)

Journal Article Milner, Phillip; Martell, Jeffrey; Siegelman, Rebecca; ... - Chemical Science

Alkyldiamine-functionalized variants of the metal–organic framework Mg₂(dobpdc) (dobpdc^4- = 4,4'-dioxidobiphenyl-3,3'-dicarboxylate) are promising for CO₂ capture applications owing to their unique step-shaped CO₂ adsorption profiles resulting from the cooperative formation of ammonium carbamate chains. Primary,secondary (1°,2°) alkylethylenediamine-appended variants are of particular interest because of their low CO₂ step pressures (≤1 mbar at 40 °C), minimal adsorption/desorption hysteresis, and high thermal stability. Herein, we demonstrate that further increasing the size of the alkyl group on the secondary amine affords enhanced stability against diamine volatilization, but also leads to surprising two-step CO₂ adsorption/desorption profiles. This two-step behavior likely results from steric interactions betweenmore »« less
Cited by 68
https://doi.org/10.1039/C7SC04266C
Enhanced Thermal Conductivity in a Diamine-Appended Metal-Organic Framework as a Result of Cooperative CO₂ Adsorption

Journal Article Babaei, Hasan; Lee, Jung-Hoon; Dods, Matthew; ... - ACS Applied Materials and Interfaces

Using diamine-appended variants of the metal-organic framework M₂(dobpdc) (M = Mg, Mn, Fe, Co, Zn; dobpdc^4- = 4,4'-dioxidobiphenyl-3,3'-dicarboxylate) exhibit exceptional CO₂ capture properties owing to a unique cooperative adsorption mechanism, and thus hold promise for use in the development of energy- and cost-efficient CO₂ separations. Understanding the nature of thermal transport in these materials is essential for such practical applications, however, as temperature rises resulting from exothermic CO₂ uptake could potentially offset the energy savings offered by such cooperative adsorbents. Here, molecular dynamics (MD) simulations are employed in investigating thermal transport in bare and e-2-appended Zn₂(dobpdc) (e-2 = N-ethylethylenediamine), bothmore »« less
https://doi.org/10.1021/acsami.0c10233

Full Text Available

Similar Records

Title: Controlling Cooperative CO 2 Adsorption in Diamine-Appended Mg 2 (dobpdc) Metal–Organic Frameworks

Citation Formats

Title: Controlling Cooperative CO ₂ Adsorption in Diamine-Appended Mg ₂ (dobpdc) Metal–Organic Frameworks