Multiscale investigation of adsorption properties of novel 3D printed UTSA-16 structures

Grande, Carlos A.; Blom, Richard; Middelkoop, Vesna; Matras, Dorota; Vamvakeros, Antonis; Jacques, Simon D. M.; Beale, Andrew M.; Michiel, Marco Di; Andreassen, Kari Anne; Bouzga, Aud M.

doi:10.1016/j.cej.2020.126166

Cited by 59 publications

(50 citation statements)

References 44 publications

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“…Lately, Grande et al applied 3D-printed UTSA-16 solids for the selective CO 2 capture [118]. For the binding system, they used a mixture of boehmite and hydroxypropyl cellulose, representing 36 wt.% of the final dry solid content.…”

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confidence: 99%

From metal–organic framework powders to shaped solids: recent developments and challenges

et al. 2021

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confidence: 99%

From metal–organic framework powders to shaped solids: recent developments and challenges

et al. 2021

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“…This poses challenges with respect to pressure drop and mass transfer. To overcome these issues, the use of structured sorbents such as laminates, 56 , 57 monoliths, 58 , 59 hollow fibers, 60 , 61 and 3D printed foams 62 − 64 is advocated. These sorbents have the potential for improved mass transfer and lower pressure drop.…”

Section: Pressure and Vacuum Swing Adsorption For Postcombustion Carbon Capturementioning

confidence: 99%

Performance-Based Screening of Porous Materials for Carbon Capture

et al. 2021

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Computational screening methods have changed the way new materials and processes are discovered and designed. For adsorption-based gas separations and carbon capture, recent efforts have been directed toward the development of multiscale and performance-based screening workflows where we can go from the atomistic structure of an adsorbent to its equilibrium and transport properties at different scales, and eventually to its separation performance at the process level. The objective of this work is to review the current status of this new approach, discuss its potential and impact on the field of materials screening, and highlight the challenges that limit its application. We compile and introduce all the elements required for the development, implementation, and operation of multiscale workflows, hence providing a useful practical guide and a comprehensive source of reference to the scientific communities who work in this area. Our review includes information about available materials databases, state-of-the-art molecular simulation and process modeling tools, and a complete catalogue of data and parameters that are required at each stage of the multiscale screening. We thoroughly discuss the challenges associated with data availability, consistency of the models, and reproducibility of the data and, finally, propose new directions for the future of the field.

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“…As emerging multifunctional materials, MOF materials have bright potential applications for gas storage and separation, [1] optical, [2] electric and magnetic materials, [3] chemical sensing, [4] catalysis, [5] and biomedicine [6] . The application of MOFs as solid electrolytes in proton exchange membrane fuel cells (PEMFCs) can bring new development for PEMFCs.…”

Section: Introductionmentioning

confidence: 99%

Promotion of Proton Conductivity by Encapsulation of Metal‐Organic Polyhedra in Metal‐Organic Frameworks

Wang

Feng

Hao

et al. 2021

Chemistry A European J

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A Zr‐based metal‐organic polyhedron (MOP) was self‐assembled in a porous MOF host, DUT‐68, successfully to synthesize MOP‐1@DUT‐68. The MOP guest (MOP‐1) has a diameter of about 20 Å, larger than that of the square windows (pore sizes of ∼14 Å) of DUT‐68 but smaller than that of the rhombicuboctahedral cage (27.7 Å), which means that the migration and leaching of MOP‐1 could be effectively prohibited if MOP‐1 is encapsulated in the MOF′s cavities. The proton conductivity of MOP‐1@DUT‐68 is 1.14×10−3 S cm−1 (at 80 °C under 98 % relative humidity), which is three orders of magnitude higher than that of DUT‐68. Compared with MOP‐1⊂DUT‐68, which was synthesized by impregnation, MOP‐1@DUT‐68 is more prone to form faster proton‐conduction pathways and thus provides higher proton conductivity.

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Multiscale investigation of adsorption properties of novel 3D printed UTSA-16 structures

Cited by 59 publications

References 44 publications

From metal–organic framework powders to shaped solids: recent developments and challenges

From metal–organic framework powders to shaped solids: recent developments and challenges

Performance-Based Screening of Porous Materials for Carbon Capture

Promotion of Proton Conductivity by Encapsulation of Metal‐Organic Polyhedra in Metal‐Organic Frameworks

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