4.7 Article

X-ray diffraction for probing free energy profiles and self-diffusivity of gases in metal-organic frameworks

Related references

Note: Only part of the references are listed.
Article Chemistry, Physical

Dynamics in nanoporous materials probed by2H solid state NMR: estimation of self-diffusion coefficients

Daniil I. Kolokolov et al.

Summary: H-2 solid-state NMR is a reliable method for probing the dynamics and self-diffusion of molecules in porous materials like zeolites and metal-organic frameworks. It can provide valuable information on diffusion coefficients of different molecules within confined geometries. Comparisons with other experimental methods such as QENS and PFG NMR reveal both possibilities and limitations of H-2 NMR.

ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY (2021)

Article Chemistry, Multidisciplinary

Highly CO2Selective Metal-Organic Framework Membranes with Favorable Coulombic Effect

Da-Shiuan Chiou et al.

Summary: This paper presents a dense CAU-10-H MOF membrane with exceptional CO2 selectivity and permeability, making it suitable for industrial applications. State-of-the-art atomistic simulations provide valuable insights into the outstanding separation performance of the membrane at the molecular level. Adsorbent-adsorbate Coulombic interactions are identified as a crucial factor in the design of CO2-selective MOF membranes.

ADVANCED FUNCTIONAL MATERIALS (2021)

Article Chemistry, Physical

Self-diffusion micromechanism in Nafion studied by 2H NMR relaxation dispersion

Elena A. Galitskaya et al.

Summary: Field Cycling H-2 nuclear magnetic resonance relaxometry was utilized to study dynamics in Nafion NR 212, revealing a coupling between long-range mass transport and molecular rotations. Confined water in Nafion is believed to have more ordered oxygen sublattices compared to bulk water, similar to ice in the short range.

JOURNAL OF CHEMICAL PHYSICS (2021)

Article Engineering, Chemical

Quantifying diffusion of organic liquids in a MOF component of MOF/Polymer mixed-matrix membranes by high field NMR

Amineh Baniani et al.

Summary: The study investigated the effect of MOF confinement in Torlon on diffusion by dispersing ZIF-71 crystals in Torlon polymer, and found that there was no influence of the ZIF-71 confinement on diffusion.

JOURNAL OF MEMBRANE SCIENCE (2021)

Article Engineering, Chemical

Coulombic effect on permeation of CO2 in metal-organic framework membranes

Ting-Hsiang Hung et al.

Summary: The traditional method of identifying potential membrane materials based on comparing the aperture size of a membrane with the kinetic diameters of gases may fail for CO2 separations using metal-organic frameworks (MOFs). Coulombic interactions significantly influence the diffusion of CO2 in MOFs, causing the transport bottleneck of CO2 and other gases to be at different locations in studied MOF structures.

JOURNAL OF MEMBRANE SCIENCE (2021)

Article Chemistry, Multidisciplinary

Multivariate Polycrystalline Metal-Organic Framework Membranes for CO2/CH4 Separation

Weidong Fan et al.

Summary: Membrane technology shows great potential in natural gas separation, with the polycrystalline MIL-160 membrane demonstrating enhanced molecular sieving effect. By controlling the pore size and environment of the MIL-160 membrane, improved gas separation efficiency can be achieved. The fluorine-functionalized multivariate MIL-160/CAU-10-F membrane exhibits significant advantages in CO2/CH4 separation performance.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2021)

Article Nanoscience & Nanotechnology

Combining In Situ Techniques (XRD, IR, and 13C NMR) and Gas Adsorption Measurements Reveals CO2-Induced Structural Transitions and High CO2/CH4 Selectivity for a Flexible Metal- Organic Framework JUK-8

Kornel Roztocki et al.

Summary: This study presents the mechanistic understanding of CO2-induced pore-opening transitions of the water-stable MOF JUK-8 and its potential application in gas purification. Detailed insights into the structural transformation and MOF-adsorbate interactions were obtained through multiple experimental techniques. The high selectivity towards carbon dioxide was confirmed by single-gas adsorption experiments and high-pressure coadsorption experiments.

ACS APPLIED MATERIALS & INTERFACES (2021)

Article Engineering, Chemical

Conformational-change-induced selectivity enhancement of CAU-10-PDC membrane for H2/CH4 and CO2/CH4 separation

Chung-Kai Chang et al.

Summary: This study presents novel CAU-10-PDC membranes for efficient separation of H2 / CH4 and CO2 / CH4 mixtures with significantly improved selectivity. Experimental and simulation methods were used to investigate the conformational changes of CAU-10-PDC induced by exposure to CH4, revealing insights into the membrane's permeability performance.

JOURNAL OF MEMBRANE SCIENCE LETTERS (2021)

Article Chemistry, Physical

Automated crystal structure analysis based on blackbox optimisation

Yoshihiko Ozaki et al.

NPJ COMPUTATIONAL MATERIALS (2020)

Article Multidisciplinary Sciences

Differential guest location by host dynamics enhances propylene/propane separation in a metal-organic framework

Dmytro Antypov et al.

NATURE COMMUNICATIONS (2020)

Article Chemistry, Physical

Switchable molecular sieving of a capped metal organic framework membrane

Shuai Zhang et al.

JOURNAL OF MATERIALS CHEMISTRY A (2020)

Article Chemistry, Physical

Dynamics of propene and propane in ZIF-8 probed by solid-state 2H NMR

Alexander E. Khudozhitkov et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)

Article Chemistry, Multidisciplinary

Restricting Lattice Flexibility in Polycrystalline Metal-Organic Framework Membranes for Carbon Capture

Deepu J. Babu et al.

ADVANCED MATERIALS (2019)

Article Chemistry, Multidisciplinary

Isotherms of individual pores by gas adsorption crystallography

Hae Sung Cho et al.

NATURE CHEMISTRY (2019)

Article Chemistry, Multidisciplinary

Unexpected Diffusion Anisotropy of Carbon Dioxide in the Metal-Organic Framework Zn2(dobpdc)

Alexander C. Forse et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2018)

Article Chemistry, Multidisciplinary

Impact of Disordered Guest-Framework Interactions on the Crystallography of Metal-Organic Frameworks

Seungkyu Lee et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2018)

Article Chemistry, Physical

Computer simulations of 4240 MOF membranes for H2/CH4 separations: insights into structure-performance relations

Cigdem Altintas et al.

JOURNAL OF MATERIALS CHEMISTRY A (2018)

Review Chemistry, Multidisciplinary

Diffusion in nanoporous materials: fundamental principles, insights and challenges

Joerg Kaerger et al.

NEW JOURNAL OF CHEMISTRY (2016)

Article Chemistry, Physical

Water adsorption behaviour of CAU-10-H: a thorough investigation of its structure-property relationships

Dominik Froehlich et al.

JOURNAL OF MATERIALS CHEMISTRY A (2016)

Article Chemistry, Multidisciplinary

Transport in Nanoporous Materials Including MOFs: The Applicability of Fick's Laws

Tobias Titze et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2015)

Article Chemistry, Multidisciplinary

Highly Tunable Molecular Sieving and Adsorption Properties of Mixed-Linker Zeolitic Imidazolate Frameworks

Kiwon Eum et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2015)

Article Chemistry, Multidisciplinary

Temperature and Loading-Dependent Diffusion of Light Hydrocarbons in ZIF-8 as Predicted Through Fully Flexible Molecular Simulations

Ross J. Verploegh et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2015)

Article Multidisciplinary Sciences

Extra adsorption and adsorbate superlattice formation in metal-organic frameworks

Hae Sung Cho et al.

NATURE (2015)

Review Chemistry, Physical

Transport Phenomena in Nanoporous Materials

Joerg Kaerger

CHEMPHYSCHEM (2015)

Article Chemistry, Multidisciplinary

Towards imaging electron density inside metal-organic framework structures

Yohei Takashima et al.

CHEMICAL COMMUNICATIONS (2014)

Review Chemistry, Multidisciplinary

Flexible metal-organic frameworks

A. Schneemann et al.

CHEMICAL SOCIETY REVIEWS (2014)

Article Chemistry, Multidisciplinary

Study of Guest Molecules in Metal Organic Frameworks by Powder X-ray Diffraction: Analysis of Difference Envelope Density

Andrey A. Yakovenko et al.

CRYSTAL GROWTH & DESIGN (2014)

Article Chemistry, Physical

Unexpected Molecular Sieving Properties of Zeolitic Imidazolate Framework-8

Chen Zhang et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2012)

Article Chemistry, Physical

Diffusion in confinement: kinetic simulations of self- and collective diffusion behavior of adsorbed gases

Mahmoud K. F. Abouelnasr et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)

Article Chemistry, Physical

Self-Diffusion Studies in CuBTC by PFG NMR and MD Simulations

M. Wehring et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2010)

Article Chemistry, Multidisciplinary

Crystallographic Observation of Dynamic Gas Adsorption Sites and Thermal Expansion in a Breathable Fluorous Metal-Organic Framework

Chi Yang et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2009)

Article Materials Science, Characterization & Testing

R factors in Rietveld analysis:: How good is good enough?

BH Toby

POWDER DIFFRACTION (2006)

Article Chemistry, Multidisciplinary

NMR studies on the diffusion of hydrocarbons on the metal-organic framework material MOF-5

F Stallmach et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2006)

Article Multidisciplinary Sciences

Gas adsorption sites in a large-pore metal-organic framework

JLC Rowsell et al.

SCIENCE (2005)

Article Multidisciplinary Sciences

Highly controlled acetylene accommodation in a metal-organic microporous material

R Matsuda et al.

NATURE (2005)

Article Chemistry, Multidisciplinary

Molecular dynamics simulations of gas diffusion in metal-organic frameworks: Argon in CuBTC

AI Skoulidas

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)

Article Multidisciplinary Sciences

Formation of a one-dimensional array of oxygen in a microporous metal-organic solid

R Kitaura et al.

SCIENCE (2002)