Article
Chemistry, Multidisciplinary
Soochan Lee, Dongsik Nam, David ChangMo Yang, Wonyoung Choe
Summary: This study efficiently identifies synthesizable candidate topologies for zeolitic imidazolate frameworks (ZIFs) from a zeolite database containing over 2,000,000 hypothetical structures, using structural descriptors extracted from known ZIFs. Intuition-based structural descriptors, such as ring patterns, node numbers, and T-O-T bridging angles, are used as data filters to eliminate infeasible topologies for ZIF formation. The carefully chosen structural descriptors facilitate the prediction of plausible ZIF topologies. Hydrogen adsorption screening is performed to investigate potential applications as porous ZIFs, leading to the suggestion of notable target ZIFs. The collection of new plausible ZIFs, derived from the combined descriptors, will serve as a structural blueprint for synthetic chemists.
Article
Engineering, Chemical
Zefeng Jiang, Wenqiang Wang, Wenjuan Xue, Hejin Zhu, Mingze Zheng, Hongliang Huang, Chongli Zhong
Summary: By anchoring CuI ions with synergistic dual-pyrazol sites of MOF-303, high C2H2 packing density and efficient C2H2/CO2 separation were achieved. Adsorption experiments demonstrated that CuI@MOF-303 could quickly adsorb C2H2 with a high density, surpassing any previously reported adsorbents. CuI@MOF-303 also exhibited a high C2H2/CO2 selectivity and separation factor, making it a promising candidate for industrial C2H2 purification.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Chemistry, Medicinal
Lawson T. Glasby, Rama Oktavian, Kewei Zhu, Joan L. Cordiner, Jason C. Cole, Peyman Z. Moghadam
Summary: Augmented reality (AR) is an emerging technique that enhances visualization and understanding of complex 3D materials. It has applications in various fields such as chemistry, real estate, physics, and mechanical engineering. In this study, we demonstrate a workflow for an app-free AR technique that enables visualization of metal-organic frameworks (MOFs) and other porous materials to study their crystal structures, topology, and gas adsorption sites. This workflow can be a valuable tool for computational and experimental scientists in their research and educational endeavors.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2023)
Article
Chemistry, Physical
Annika F. Moslein, Jin-Chong Tan
Summary: In this study, the complex physical phenomena and structural dynamics of ZIF-71 were investigated through experimental and computational techniques. The vibrational modes of ZIF-71 were assigned and low-energy terahertz dynamics were discovered. Nanoscale analytical methods were used to explore the local chemical and mechanical properties of ZIF-71 single crystals.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Review
Engineering, Chemical
Taofeeqah A. Agbaje, Lourdes F. Vega, Maryam Khaleel, Kean Wang, Georgios N. Karanikolos
Summary: C4 hydrocarbons are important fractions in the oil and gas processing industry, and traditional methods for their separation face challenges. Therefore, new technologies such as membranes and adsorption are being actively explored as efficient, economical, and energy-saving alternatives for the separation of C4 hydrocarbons.
SEPARATION AND PURIFICATION TECHNOLOGY
(2022)
Article
Chemistry, Physical
Yuhang Zheng, Qiang Zhuang, Ying Ruan, Bingbo Wei
Summary: Zeolitic imidazolate framework-8 was synthesized in a containerless state using acoustic levitation, which affected the coordination connection of ligands and resulted in different particle size distribution compared to normal conditions. The influence of droplet evaporation during acoustic levitation synthesis was investigated using methanol as the solvent. Surface evaporation caused deformation, vibration, and shape oscillation of the droplets, leading to a decrease in particle size distribution.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Dejun Dai, Hongliang Wang, Conger Li, Xuedi Qin, Tao Li
Summary: A new strategy using the porosity of metal-organic frameworks achieves simultaneous interior and exterior modification of a polymer, improving solvent dispersibility and CO2 affinity. This approach leads to defect-free mixed matrix membranes with enhanced CO2 permeability and selectivity, providing a new avenue for high-performance membrane materials.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Multidisciplinary
Pattraporn Srirattanasakunsuk, Bundet Boekfa, Piti Treesukol, Nongpanga Jarussophon, Thana Maihom, Kanokwan Kongpatpanich, Jumras Limtrakul
Summary: An efficient synthesis of 5,7-dihydroxy-4-methylcoumarin from phloroglucinol with ethyl acetoacetate in the UiO-66-SO3H metal-organic framework is reported. The potential of UiO-66-SO3H as a solid catalyst was determined through optimized-condition experiments and quantum molecular calculations.
Article
Multidisciplinary Sciences
Yan Su, Ken-ichi Otake, Jia-Jia Zheng, Satoshi Horike, Susumu Kitagawa, Cheng Gu
Summary: Efficient separation of water isotopologues at room temperature has been achieved by constructing porous coordination polymers with flip-flop molecular motions to regulate the diffusion rates of water isotopologues. This method shows promise for high-performance vapor separation.
Article
Chemistry, Multidisciplinary
Honghui Kim, Jihan Kim
Summary: In this theoretical study, the selective binding of dinitrogen to the coordinatively unsaturated metal site in M-MOF-74 under an external electric field is investigated. The simulation results reveal that the electric field enhances the pi* back-bonding between the transition metal and dinitrogen molecule while weakening the sigma bond with other small gas molecules. Co-MOF-74 and Fe-MOF-74 show the highest dinitrogen binding energy in the presence of an electric field, twice as high as methane. These findings provide a new dimension for the design of small gas molecule separation in metal-organic frameworks.
Review
Chemistry, Multidisciplinary
Yaqi Wu, Bert M. Weckhuysen
Summary: This Minireview focuses on the developments of the adsorptive separation of methane/nitrogen, ethene/ethane, propene/propane mixtures as well as on the separation of C-8 aromatics with various materials. The advantages and disadvantages of each material category are discussed, and guidelines for the design of improved materials are proposed. Furthermore, challenges and future developments of each material type and separation processes are discussed.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Materials Science, Multidisciplinary
Biswajit Mohanty, Gopal Avashthi
Summary: In this study, a high throughput computational approach was used to investigate the adsorption and separation properties of C8-C12 hydrocarbons on a tube-shaped metallo-cavitand, pillarplex (PPX). The results showed that Cu-PPX exhibited a higher binding affinity with the hydrocarbons compared to Ag-PPX. The thermodynamic properties and simulations demonstrated that Cu-PPX and Au-PPX were the ideal hosts for storing hydrocarbons at ambient conditions.
RESULTS IN PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Primoz Poredos, He Shan, Chenxi Wang, Fangfang Deng, Ruzhu Wang
Summary: Sorption and radiative sky cooling technologies have the potential to provide decentralized fresh water, but continuous operational devices are needed. Current energy materials and system designs have limitations that hinder continuous AWH. By addressing these challenges, 24-hour continuous fresh water generation can be achieved.
ENERGY & ENVIRONMENTAL SCIENCE
(2022)
Article
Chemistry, Multidisciplinary
Hae Sung Cho, Hideki Tanaka, Yongjin Lee, Yue-Biao Zhang, Juncong Jiang, Minho Kim, Hyungjun Kim, Jeung Ku Kang, Osamu Terasaki
Summary: The study demonstrates the influence of intermolecular interaction among adsorbates and substrate, controlled by pore environment and species of adsorbates, on adsorption behavior. MOF-205 exhibits unique CO2 adsorption behavior due to its distinct pore geometry. Comparison of materials with different pore environments reveals that the relative strength of adsorbate-adsorbate and adsorbate-substrate interaction leads to different shapes of isotherms.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Review
Chemistry, Multidisciplinary
Shikai Xian, Yuhan Lin, Hao Wang, Jing Li
Summary: Calcium metal-based metal-organic frameworks (Ca-MOFs) exhibit high stability, low toxicity, and relatively low density, showing considerable potential for molecular separations, electronic, magnetic, and biomedical applications. Compared to MOFs made of other metals, Ca-MOFs may have particular advantages in adsorption of light molecules and drug delivery.
