Title: Biporous Metal–Organic Framework with Tunable CO 2 /CH 4 Separation Performance Facilitated by Intrinsic Flexibility

Journal Article · · ACS Applied Materials and Interfaces
 [1];  [2]; ORCiD logo [3];  [1];  [4]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [5]; ORCiD logo [6]; ORCiD logo [1]
  1. Laboratory of Molecular Simulation (LSMO), Institut des sciences et ingénierie chimiques (ISIC), École polytechnique fédérale de Lausanne (EPFL) Valais, Rue de l’Industrie 17, 1951 Sion, Switzerland
  2. Department of Chemistry, University of California, Berkeley, California 94720, United States
  3. Swiss-Norwegian Beamlines, European Synchrotron Radiation Facility, 38000 Grenoble, France
  4. Department of Chemical and Biomolecular Engineering, University of California, Berkeley, California 94720, United States
  5. Departamento de Química Inorgánica, Universidad de Granada, Av. Fuentenueva S/N, 18071 Granada, Spain
  6. Laboratory of Molecular Simulation (LSMO), Institut des sciences et ingénierie chimiques (ISIC), École polytechnique fédérale de Lausanne (EPFL) Valais, Rue de l’Industrie 17, 1951 Sion, Switzerland, 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

Not Available

Research Organization:
Ecole Polytechnique Federale Lausanne (Switzlerland); Energy Frontier Research Centers (EFRC) (United States). Center for Gas Separations Relevant to Clean Energy Technologies (CGS)
Sponsoring Organization:
USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Grant/Contract Number:
AC02-05CH11231; SC0001015
OSTI ID:
1478678
Journal Information:
ACS Applied Materials and Interfaces, Journal Name: ACS Applied Materials and Interfaces Journal Issue: 42 Vol. 10; ISSN 1944-8244
Publisher:
American Chemical Society (ACS)Copyright Statement
Country of Publication:
United States
Language:
English

References (66)

An Explanation for the Very Large Breathing Effect of a Metal–Organic Framework during CO2 Adsorption journal September 2007
Vapor–liquid equilibria of mixtures containing alkanes, carbon dioxide, and nitrogen journal July 2001
A Two-in-One Crystal: Uptake of Two Different Guests into Two Distinct Channels of a Biporous Coordination Network journal March 2005
A Two-in-One Crystal: Uptake of Two Different Guests into Two Distinct Channels of a Biporous Coordination Network journal March 2005
Carbon Dioxide Capture: Prospects for New Materials journal July 2010
A Recyclable Metal-Organic Framework as a Dual Detector and Adsorbent for Ammonia journal August 2017
Adsorption and Separation of Light Gases on an Amino-Functionalized Metal-Organic Framework: An Adsorption and In Situ XRD Study journal February 2012
An In-Depth Structural Study of the Carbon Dioxide Adsorption Process in the Porous Metal-Organic Frameworks CPO-27-M journal March 2017
Semiempirical GGA-type density functional constructed with a long-range dispersion correction journal January 2006
A 3D Porous Metal Organic Framework Based on Infinite 1D Nickel(II) Chains with Rutile Topology Displaying Open Metal Sites: 3D Porous Metal Organic Framework Based on Infinite 1D Nickel(II) Chains journal August 2014
Multicomponent adsorption of biogas compositions containing CO2, CH4 and N2 on Maxsorb and Cu-BTC using extended Langmuir and Doong–Yang models journal July 2015
Recent advances in magnetic structure determination by neutron powder diffraction journal October 1993
Catalytic degradation of chemical warfare agents and their simulants by metal-organic frameworks journal September 2017
Highly enhanced and weakened adsorption properties of two MOFs by water vapor for separation of CO2/CH4 and CO2/N2 binary mixtures journal June 2015
Ab-initio calculation of elastic constants of crystalline systems with the CRYSTAL code journal October 2009
ElaStic: A tool for calculating second-order elastic constants from first principles journal August 2013
Noble gases and microporous frameworks; from interaction to application journal November 2012
Force field parameters for N,N-Dimethylformamide (DMF) revisited: Improved prediction of bulk properties and complete miscibility in water journal June 2015
Reliably Modeling the Mechanical Stability of Rigid and Flexible Metal–Organic Frameworks journal November 2017
Selective Adsorption Performances of UiO-67 for Separation of Light Hydrocarbons C1, C2, and C3 journal July 2017
Piezochromic Porous Metal–Organic Framework journal December 2016
CO 2 Capture in Dry and Wet Conditions in UTSA-16 Metal–Organic Framework journal December 2016
Applied Topological Analysis of Crystal Structures with the Program Package ToposPro journal May 2014
Synthesis and Characterization of an Amino Functionalized MIL-101(Al): Separation and Catalytic Properties journal May 2011
Metal–Organic Framework Materials as Chemical Sensors journal September 2011
Carbon Dioxide Capture in Metal–Organic Frameworks journal September 2011
Computing the Heat of Adsorption using Molecular Simulations: The Effect of Strong Coulombic Interactions journal June 2008
Electrostatic Potential Derived Atomic Charges for Periodic Systems Using a Modified Error Functional journal August 2009
Hierarchical Guest Exchange and Step-by-Step Activation of a Biporous Coordination Framework journal August 2013
Natural Gas Processing with Membranes:  An Overview journal April 2008
CO 2 and CH 4 Separation by Adsorption Using Cu-BTC Metal−Organic Framework journal August 2010
The Modular Synthesis of Functional Porous Coordination Networks
  • Kawano, Masaki; Kawamichi, Takehide; Haneda, Tsuyoshi
  • Journal of the American Chemical Society, Vol. 129, Issue 50, p. 15418-15419 https://doi.org/10.1021/ja0752540
journal December 2007
Strong CO2 Binding in a Water-Stable, Triazolate-Bridged Metal−Organic Framework Functionalized with Ethylenediamine
  • Demessence, Aude; D’Alessandro, Deanna M.; Foo, Maw Lin
  • Journal of the American Chemical Society, Vol. 131, Issue 25, p. 8784-8786 https://doi.org/10.1021/ja903411w
journal July 2009
A Guest-Responsive Fluorescent 3D Microporous Metal−Organic Framework Derived from a Long-Lifetime Pyrene Core
  • Stylianou, Kyriakos C.; Heck, Romain; Chong, Samantha Y.
  • Journal of the American Chemical Society, Vol. 132, Issue 12, p. 4119-4130 https://doi.org/10.1021/ja906041f
journal March 2010
The Influence of Intrinsic Framework Flexibility on Adsorption in Nanoporous Materials journal April 2017
A Microporous Metal−Organic Framework for Separation of CO 2 /N 2 and CO 2 /CH 4 by Fixed-Bed Adsorption journal February 2008
Transferable Potentials for Phase Equilibria. 1. United-Atom Description of n-Alkanes March 1998
Porous materials with optimal adsorption thermodynamics and kinetics for CO2 separation journal February 2013
Cooperative insertion of CO2 in diamine-appended metal-organic frameworks journal March 2015
Methane storage in flexible metal–organic frameworks with intrinsic thermal management journal October 2015
Protecting group and switchable pore-discriminating adsorption properties of a hydrophilic–hydrophobic metal–organic framework journal March 2011
Selective sulfur dioxide adsorption on crystal defect sites on an isoreticular metal organic framework series journal February 2017
Coexistence of chiral hydrophilic and achiral hydrophobic channels in one multi-helical-array metal–organic framework incorporating helical water cluster chains journal January 2006
Versatile functionalities in MOFs assembled from the same building units: interplay of structural flexibility, rigidity and regularity journal January 2010
Toxic gas removal – metal–organic frameworks for the capture and degradation of toxic gases and vapours journal January 2014
Methane storage in metal–organic frameworks journal January 2014
Force field for ZIF-8 flexible frameworks: atomistic simulation of adsorption, diffusion of pure gases as CH 4 , H 2 , CO 2 and N 2 journal January 2014
Molecular simulation of low temperature argon adsorption in several models of IRMOF-1 with defects and structural disorder journal January 2016
An aminopyrimidine-functionalized cage-based metal–organic framework exhibiting highly selective adsorption of C 2 H 2 and CO 2 over CH 4 journal January 2016
Gas confinement in compartmentalized coordination polymers for highly selective sorption journal January 2017
A family of ssa-type copper-based MOFs constructed from unsymmetrical diisophthalates: synthesis, characterization and selective gas adsorption journal January 2017
Bi-porous metal–organic framework with hydrophilic and hydrophobic channels: selective gas sorption and reversible iodine uptake studies journal January 2013
Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew journal May 2004
Metal–organic frameworks with wine-rack motif: What determines their flexibility and elastic properties? journal May 2013
RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials journal February 2015
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials journal September 2009
ELATE: an open-source online application for analysis and visualization of elastic tensors journal May 2016
Projector augmented-wave method journal December 1994
Generalized Gradient Approximation Made Simple journal October 1996
OLEX2 : a complete structure solution, refinement and analysis program journal January 2009
A new multipurpose diffractometer PILATUS@SNBL journal March 2016
Crystal structure refinement with SHELXL journal January 2015
PLATON SQUEEZE: a tool for the calculation of the disordered solvent contribution to the calculated structure factors journal January 2015
SHELXT – Integrated space-group and crystal-structure determination journal January 2015
Amine Scrubbing for CO2 Capture journal September 2009
Fundamentals of Natural Gas Processing book June 2006