Article
Engineering, Chemical
Shreerang D. Datar, Rupali S. Mane, Nitish Kumar, Vrushali Sawant, Shweta Malpure, Neetu Jha
Summary: The available fresh water resources have been polluted by rapid industrialization and urbanization. Several techniques have been developed and practiced for the treatment of wastewater, including physical, thermal, chemical, membrane-based and electrochemical techniques. Still the efficient and effective technique for the wastewater treatment is challenging for researchers over the years.
Article
Chemistry, Inorganic & Nuclear
Wen-Qian Zhang
Summary: By synthesizing a 3D rigid Ni(II) microporous metal-organic framework, a high capacity and selectivity for CO2 over CH4 has been achieved.
Article
Chemistry, Multidisciplinary
Hengbo Li, Zhenyu Ji, Cheng Chen, Zhengyi Di, Yongsheng Liu, Mingyan Wu
Summary: A microporous material composed of dicopper paddlewheels and diisophthalate ligands has been successfully synthesized, showing good gas separation ability for C2H2/CO2 and C2H6/CH4 mixtures with short separation time.
CRYSTAL GROWTH & DESIGN
(2021)
Article
Engineering, Chemical
Yong-Zhi Li, Rajamani Krishna, Fan Xu, Wan-Fang Zhang, Yanwei Sui, Lei Hou, Yao-Yu Wang, Zhonghua Zhu
Summary: In this study, a novel microporous Cd-MOF material was constructed with a high C2H2 adsorption capacity, which can efficiently separate C2H2 from gas mixtures. The experimental results and molecular simulation demonstrated the importance of this material in acetylene separation.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Chemistry, Physical
Min Chen, Lei Wang
Summary: A new microporous dysprosium-based metal-organic framework with high CO2 adsorption capacity and selectivity was synthesized. The framework showed a CO2 uptake of 55.9 cm3 g-1 at 293 K and 1 atm, while the uptake for CH4, Ar, and N2 was lower than 13.6 cm3 g-1. The calculated IAST selectivities of CO2/CH4, CO2/Ar, and CO2/N2 were 5.1, 26.7, and 24.3, respectively, indicating the potential of the framework for selective CO2 capture at ambient temperature.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Engineering, Chemical
Qi Ding, Zhaoqiang Zhang, Cong Yu, Peixin Zhang, Jun Wang, Liyun Kong, Xili Cui, Chao-Hong He, Shuguang Deng, Huabin Xing
Summary: The efficient separation of propylene and propane in a phosphate anion-functionalized metal-organic framework was achieved by a synergetic effect of equilibrium and kinetics, offering excellent thermodynamic and kinetic selectivity for C3H6/C3H8 separation. This breakthrough method demonstrates outstanding separation capability and easy regeneration, marking the first observation of equilibrium and kinetics cooperative C3H6/C3H8 adsorption separation in anion-functionalized MOFs.
Article
Engineering, Chemical
Yadan Du, Yang Chen, Yong Wang, Chaohui He, Jiangfeng Yang, Libo Li, Jinping Li
Summary: A metal-organic framework has been developed for efficient adsorptive separation of acetylene and ethylene mixtures, showing outstanding separation performance and selectivity.
SEPARATION AND PURIFICATION TECHNOLOGY
(2021)
Article
Chemistry, Physical
Ghazanfar Nazir, Adeela Rehman, Soo-Jin Park
Summary: This study presents a single-step synthesis method for the preparation of self-activated heteroatom-doped carbon cryogels. The N-doped cryogels exhibit a highly porous structure, abundant narrow micropores, and high CO2 adsorption performance.
Article
Nanoscience & Nanotechnology
Lei Xia, Yan Zhao, Xi Zhang, Yangbo Qiu, Jiahui Shao, Raf Dewil, Bart Van der Bruggen, Xing Yang
Summary: This study proposes a new design strategy for ion exchange membranes, utilizing ionic control strategy and ZIF framework to enhance the transport and separation of target ions. Experimental results demonstrate that the S@ZIF-AMX membrane significantly improves the separation efficiency and permselectivity of PO43-/Cl- and SO42-/Cl- in electrodialysis.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Chemistry, Multidisciplinary
Guilan Xu, Qin-Long Hong, Yayong Sun, Meng Liu, Hai-Xia Zhang, Jian Zhang
Summary: The paper demonstrates the photocatalytic reduction of CO2 using a boron imidazolate framework with anchored transition metal ions. The study investigates the performance and selectivity of different metal ion species and provides insights into the catalytic mechanism of CO2 photoreduction.
CHINESE CHEMICAL LETTERS
(2022)
Article
Materials Science, Multidisciplinary
Tran Van Phuc, Sung Gu Kang, Jin Suk Chung, Seung Hyun Hur
Summary: Cu-MOF74 exhibited superior electrocatalytic properties compared to Zn-MOF74, with larger surface area, higher CO selectivity, and lower overpotential. Computational simulation showed that the lower activation energy of Cu-MOF74 in the rate-determining step resulted in its better electrocatalytic properties.
MATERIALS RESEARCH BULLETIN
(2021)
Article
Chemistry, Inorganic & Nuclear
Min Chen, Zhuo-Wei Wang
Summary: The HMS-type microporous metal-organic framework shows high C-2 hydrocarbons and CO2 storage capacity, with potential for the separation of C-2 hydrocarbons and CO2 from CH4.
Article
Chemistry, Inorganic & Nuclear
Hui-Zi Li, Yayong Sun, Duoyu Lin, Weiting Yang, Fei Wang
Summary: In this study, a three-dimensional tetrahedral imidazolate framework TIF-Al was successfully synthesized with high yield using simple methods. The framework showed high adsorption selectivity for CO2 over N-2 and CH4 at ambient conditions.
JOURNAL OF SOLID STATE CHEMISTRY
(2021)
Article
Multidisciplinary Sciences
Sanchita Karmakar, Soumitra Barman, Faruk Ahamed Rahimi, Darsi Rambabu, Sukhendu Nath, Tapas Kumar Maji
Summary: Researchers achieved selective conversion of CO2 to CH4 under visible light by post-synthetically grafting 1-pyrenebutyric acid in defect-engineered Zr-based metal organic framework and incorporating methyl viologen as a donor-acceptor complex, enabling visible-light-driven CO2 reduction reaction for CH4 production.
NATURE COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Piyush Singh, Himan Dev Singh, Abhijith Hari Menon, Ramanathan Vaidhyanathan
Summary: Ultramicroporous MOFs allow for the close packing of functional groups, directly influencing the interactions between guests and the framework. MOFs with pores lined by both methyl and amine groups have potential as highly efficient sorbents for humid CO2. However, the complexity of their structure hinders their full utilization, even in a simple zinc-triazolato-acetate layered-pillared MOF.
CHEMICAL COMMUNICATIONS
(2023)
Article
Chemistry, Applied
Ozce Durak, Muhammad Zeeshan, Nitasha Habib, Hasan Can Gulbalkan, Ala Abdulalem Abdo Moqbel Alsuhile, Hatice Pelin Caglayan, Samira F. Kurtoglu-Oztulum, Yuxin Zhao, Zeynep Pinar Haslak, Alper Uzun, Seda Keskin
Summary: The modification of porous materials' physicochemical properties using ionic liquids (ILs) has been extensively studied for various applications. The combination of ILs and porous materials shows great potential in gas adsorption and separation, catalysis, liquid-phase adsorption and separation, and ionic conductivity due to superior performances of hybrid composites. This review discusses the evolution of IL/porous material composites as a research field by exploring different types of porous materials, including metal organic frameworks (MOFs), covalent organic frameworks (COFs), zeolites, and carbonaceous materials. The challenges, opportunities, synthesis methods, characterization techniques, applications, and future prospects of IL/porous materials are discussed to provide a roadmap for this area. The future advancements discussed in this review will provide insights into the design and development of novel hybrid materials and their potential to replace conventional materials.
MICROPOROUS AND MESOPOROUS MATERIALS
(2022)
Article
Engineering, Chemical
Hilal Daglar, Sena Aydin, Seda Keskin
Summary: This research evaluated the performance of nearly 180,000 different MOF/polymer MMMs in 11 different gas separations, finding that many of them exceeded the upper bounds due to high gas permeability and selectivity, and showed that using MOFs as fillers significantly improved the gas permeability of polymers.
SEPARATION AND PURIFICATION TECHNOLOGY
(2022)
Article
Chemistry, Multidisciplinary
Hakan Demir, Seda Keskin
Summary: The study investigates the separation properties of MOFs for CO2 from various gas mixtures and identifies the best performing adsorbent materials.
JOURNAL OF CO2 UTILIZATION
(2022)
Article
Nanoscience & Nanotechnology
Sena Aydin, Cigdem Altintas, Seda Keskin
Summary: This study focuses on the performance of experimentally synthesized covalent organic frameworks (COFs) and hypothetical COFs as membrane materials for gas separation. By calculating the gas permeability and selectivity of COFs, it was found that many COF membranes have exceeded the upper limit of polymeric membranes. This study also proposes an efficient method for selecting the best hypothetical COFs and investigates mixed matrix membranes composed of COFs and polymers. The results show that the performance of many polymers can surpass the upper limit when COFs are used as fillers.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Chemistry, Multidisciplinary
Johannes W. M. Osterrieth, Jarnes Rampersad, David Madden, Nakul Rampal, Luka Skoric, Bethany Connolly, Mark D. Allendorf, Vitalie Stavila, Jonathan L. Snider, Rob Ameloot, Joao Marreiros, Conchi Ania, Diana Azevedo, Enrique Vilarrasa-Garcia, Bianca F. Santos, Xian-He Bu, Ze Chang, Hana Bunzen, Neil R. Champness, Sarah L. Griffin, Banglin Chen, Rui-Biao Lin, Benoit Coasne, Seth Cohen, Jessica C. Moreton, Yamil J. Colon, Linjiang Chen, Rob Clowes, Francois-Xavier Coudert, Yong Cui, Bang Hou, Deanna M. D'Alessandro, Patrick W. Doheny, Mircea Dinca, Chenyue Sun, Christian Doonan, Michael Thomas Huxley, Jack D. Evans, Paolo Falcaro, Raffaele Ricco, Omar Farha, Karam B. Idrees, Timur Islamoglu, Pingyun Feng, Huajun Yang, Ross S. Forgan, Dominic Bara, Shuhei Furukawa, Eli Sanchez, Jorge Gascon, Selvedin Telalovic, Sujit K. Ghosh, Soumya Mukherjee, Matthew R. Hill, Muhammed Munir Sadiq, Patricia Horcajada, Pablo Salcedo-Abraira, Katsumi Kaneko, Radovan Kukobat, Jeff Kenvin, Seda Keskin, Susumu Kitagawa, Ken-ichi Otake, Ryan P. Lively, Stephen J. A. DeWitt, Phillip Llewellyn, Bettina Lotsch, Sebastian T. Emmerling, Alexander M. Putz, Carlos Marti-Gastaldo, Natalia M. Padial, Javier Garcia-Martinez, Noemi Linares, Daniel Maspoch, Jose A. Suarez del Pino, Peyman Moghadam, Rama Oktavian, Russel E. Morris, Paul S. Wheatley, Jorge Navarro, Camille Petit, David Danaci, Matthew J. Rosseinsky, Alexandros P. Katsoulidis, Martin Schroder, Xue Han, Sihai Yang, Christian Serre, Georges Mouchaham, David S. Sholl, Raghuram Thyagarajan, Daniel Siderius, Randall Q. Snurr, Rebecca B. Goncalves, Shane Telfer, Seok J. Lee, Valeska P. Ting, Jemma L. Rowlandson, Takashi Uemura, Tomoya Liyuka, Monique A. van derVeen, Davide Rega, Veronique Van Speybroeck, Sven M. J. Rogge, Aran Lamaire, Krista S. Walton, Lukas W. Bingel, Stefan Wuttke, Jacopo Andreo, Omar Yaghi, Bing Zhang, Cafer T. Yavuz, Thien S. Nguyen, Felix Zamora, Carmen Montoro, Hongcai Zhou, Angelo Kirchon, David Fairen-Jimenez
Summary: Porosity and surface area analysis are important in modern materials science. However, there is a lack of attention to the reproducibility issue in calculating BET surface areas from identical isotherms, raising concerns over the reliability of reported BET areas. To address this, a new computational approach called BET surface identification (BETSI) has been developed for accurately and systematically determining the BET area of nanoporous materials.
ADVANCED MATERIALS
(2022)
Article
Engineering, Environmental
Ozce Durak, Muhammad Zeeshan, Seda Keskin, Alper Uzun
Summary: In this study, a composite material was prepared by coating an ordinary activated carbon surface with an ionic liquid, resulting in high selectivity for CO2 and inhibited sorption of N2 and CH4. The newly formed chemisorption and physisorption sites on the surface contributed to the enhanced selectivity of the composite material.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Engineering, Chemical
Cigdem Altintas, Seda Keskin
Summary: This study evaluates the performance of metal organic frameworks (MOFs) for CO2/N-2 separation using molecular simulations and compares the rankings of MOFs based on different performance metrics. The results provide important insights for identifying the most promising adsorbents for efficient flue gas separation.
CHEMICAL ENGINEERING RESEARCH & DESIGN
(2022)
Article
Computer Science, Interdisciplinary Applications
Hakan Demir, Seda Keskin
Summary: With advancements in computational resources and algorithms, computer simulations are now being used to tackle important global challenges such as CO2 capture. This study computationally screened a metal-organic framework database to identify the best-performing materials for efficient CO2 separation. The findings provide valuable insights for experimental design and improving CO2 selectivity.
COMPUTERS & CHEMICAL ENGINEERING
(2022)
Article
Engineering, Chemical
Hasan Can Gulbalkan, Zeynep Pinar Haslak, Cigdem Altintas, Alper Uzun, Seda Keskin
Summary: Covalent organic frameworks (COFs) have emerged as promising adsorbents and membranes for gas separation. This study explores the performance of IL/COF composites in CO2/N2 adsorption and membrane separation through computational screening methods. The incorporation of ILs significantly improves the adsorption selectivity and performance scores of COFs. The nature of the interactions between CO2, N2, COFs, and IL-incorporated composites was evaluated using DFT calculations. IL/COF membranes exhibit high CO2 permeability and comparable selectivity to traditional polymer and zeolite membranes, showing potential for flue gas separation.
SEPARATION AND PURIFICATION TECHNOLOGY
(2022)
Article
Nanoscience & Nanotechnology
Hilal Daglar, Seda Keskin
Summary: In this study, molecular simulations and machine learning were combined to evaluate the separation performances of MOF membranes and MOF/polymer MMMs for different gas separations. The developed ML models accurately predicted the gas adsorption and diffusion properties in MOFs, significantly accelerating the assessment of separation performances.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Chemistry, Multidisciplinary
Muhammad Zeeshan, Hasan Can Gulbalkan, Ozce Durak, Zeynep Pinar Haslak, Ugur Unal, Seda Keskin, Alper Uzun
Summary: This study presents an integrated computational-experimental hierarchical approach for selecting the best IL-MOF combination for gas separation applications. By using multiple computational tools, a highly performant IL-MOF combination was identified, paving the way for rational design and development of gas separation applications.
ADVANCED FUNCTIONAL MATERIALS
(2022)
Article
Chemistry, Physical
Hakan Demir, Seda Keskin
Summary: This study explores the development of cost-effective separation processes for SO2 emissions using metal-organic frameworks (MOFs), screening a large database of hypothetical MOFs and identifying the best materials and functional groups for SO2 separation based on performance metrics.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Multidisciplinary
Gokhan Onder Aksu, Ilknur Erucar, Zeynep Pinar Haslak, Seda Keskin
Summary: This study explores the potential of using synthesized and computer-generated covalent organic frameworks (COFs) to capture H2S+CO2 from natural gas. Through extensive calculations and simulations, it was found that NPN-3 is the best performing COF, and isosteric heats of adsorption can be used to discover efficient hypothetical COFs for natural gas separation.
JOURNAL OF CO2 UTILIZATION
(2022)
Review
Chemistry, Multidisciplinary
Cigdem Altintas, Ilknur Erucar, Seda Keskin
Summary: The rapid development of metal organic frameworks and covalent organic frameworks has led to groundbreaking applications in materials science and engineering. The new MOF/COF hybrid materials exhibit excellent properties and offer promising performances in various fields including catalysis, energy storage, gas separation, and nanomedicine.
Article
Chemistry, Physical
Hakan Demir, Seda Keskin
Summary: This study investigates the effects of multiple functional groups on the gas separation performance of metal-organic frameworks (MOFs) using computational simulations. The presence of -OCH3 groups in MOFs is found to significantly improve the selectivity. The most promising adsorbents for gas separation are identified based on selectivity, working capacity, and regenerability. The membrane performance of MOFs is also studied.
MOLECULAR SYSTEMS DESIGN & ENGINEERING
(2022)
