Article
Engineering, Environmental
Yosra Ben Torkia, Wouroud Sghaier, Nadia Bouaziz, Abdelmottaleb Ben Lamine
Summary: In this study, the toxic Xenon removal by an adsorption process on chabazite was investigated using the grand canonical formalism of statistical physics. The interactions between Xenon atoms and chabazite surface were studied through determined physicochemical parameters. The Ca-CHA sample showed the highest adsorption capacity, and the adsorption energy distributions and pore size distributions provided insights into the physisorbed character and microporous character of the samples, respectively.
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING
(2021)
Article
Chemistry, Applied
Anthony Vallace, Grant C. Kester, Chris Bongo, William Casteel, Garret Lau, Roger Whitley, Charles G. Coe
Summary: Phase-pure, Al-rich CHA was prepared through gel routes, with the product phase being influenced by cation composition and seed addition. Adsorption studies revealed variations in adsorption properties in mixed Ca/Li systems with different Ca loadings.
MICROPOROUS AND MESOPOROUS MATERIALS
(2021)
Article
Chemistry, Physical
David S. Potts, Vijaya Sundar Jeyaraj, Ohsung Kwon, Richa Ghosh, Alexander V. Mironenko, David W. Flaherty
Summary: Solvent molecules within zeolite pores have a significant impact on the stability, rates, and selectivities of catalytic reactions. By studying alkene epoxidations in titanium-substituted BEA zeolites, researchers have discovered that the interactions between solvent molecules and active sites play a crucial role in these processes. The experimental and computational analysis of solvent composition within the zeolite pores provides insights into the thermodynamic consequences of these interactions and offers opportunities for controlling reaction selectivities and rates through the design of extended active site environments.
Article
Chemistry, Applied
Eddy Dib, Jerome Rey, Aurelie Vicente, Shrikant Kunjir, Hussein Awala, Sarah Komaty, Ayoub Daouli, Tomas Bucko, Hussein El Siblani, Robert Bedard, Jeffery Bricker, Jean-Pierre Gilson, Michael Badawi, Svetlana Mintova
Summary: The accessibility of sodalite cages in nanosized zeolite X can be controlled by varying the nature and location of extra-framework cations. Nuclear magnetic resonance experiments and DFT simulations reveal the connectivity between sodalite and super cages, as well as the influence of extra-framework cations on the diffusion pathway.
MICROPOROUS AND MESOPOROUS MATERIALS
(2022)
Article
Engineering, Environmental
Yixuan Yu, Xianhai Li, Xiubo Min, Mingyang Shang, Ping Tao, Tianjun Sun
Summary: This study focuses on the effects of channel morphology and Bronsted acidity on noble gas separation using three different zeolites. ZSM-5 has been found to have better selectivity for separating Xe and Kr, making it an efficient method for capturing Xe from used radioactive gas and cryogenic air.
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING
(2022)
Article
Chemistry, Physical
Kento Murota, Takumi Saito
Summary: The study found that water in confinement becomes more structured and the surface charge density decreases with decreasing pore size, especially when the pores are smaller than 4 nanometers. Additionally, there is a correlation between the electrostatics near the surface and surface reactions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Engineering, Chemical
Xing-Ping Fu, Ze-Ran Li, Qing-Yan Liu, Hongxia Guan, Yu-Ling Wang
Summary: JXNU-11(Fe2Ni) is a water-resistant metal-organic framework with distinctive structure and high Xe adsorption capacity, making it suitable for the separation of Xe/Kr mixtures. The framework exhibits excellent separation performance, along with high Xe productivity, good recyclability, and low regeneration energy.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2022)
Article
Chemistry, Physical
Zhen Yuan, Liangji Chen, Xin Zhou, Lu Li, Yunbin Li, Yisi Yang, Zhiqi Zhou, Yanting Chen, Shengchang Xiang, Banglin Chen, Zhangjing Zhang
Summary: This study proposes an optimized pore engineering strategy by enlarging the core size of rigid monomers to increase the pore size of benzene cyanide-based HOFs. Through experimental validation, it is demonstrated that the resulting HOF material exhibits the highest Xe/Kr separation performance reported to date.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Energy & Fuels
Ji Chen, Haifeng Gai, Qilin Xiao
Summary: This research investigates water sorption behavior in shale, revealing the relationship between water and pore structure, organic/inorganic composition, and temperature. The study supports a surface-chemistry-controlled clustering mechanism for water sorption in shale.
INTERNATIONAL JOURNAL OF COAL GEOLOGY
(2021)
Article
Chemistry, Applied
Lan Deng, Xi Chen, Mao-Long Chen, Dong-Li An, Zhao-Hui Zhou
Summary: In this study, lanthanum microporous frameworks 1 and 2 with double channels were successfully synthesized using protonated dimethylamines and 1,3-propanediamines as templates. The materials exhibited good chemical and thermal stabilities up to 200 degrees C. Gas adsorption experiments showed that MOFs 1 and 2 had affinity for O-2 and CO2, but no adsorption of CH4, N-2, or H-2 was observed. Quantitative measurements of captured CO2 inside material 1 were achieved using NMR and IR spectroscopies. These findings highlight the confinement effects of nanoenvironments on material properties.
MICROPOROUS AND MESOPOROUS MATERIALS
(2022)
Article
Chemistry, Physical
Xueting Wang, Lin Chen, Peter N. R. Vennestrom, Ton V. W. Janssens, Jonas Jansson, Henrik Gronbeck, Magnus Skoglundh
Summary: The study found that oxygen adsorption is more facile over [NH3-Cu-NH3](+) complexes compared to framework-bound Cu+ species on Cu-chabazite. Experimental results are in agreement with density functional theory calculations, showing a lower barrier for oxygen activation over the [NH3-Cu-NH3](+) complexes.
Article
Chemistry, Physical
Sen Yang, Xiantang Liu, Gang Yang
Summary: This study uses molecular dynamics simulations to investigate cation exchange mechanisms at clay interfaces, revealing different selectivities for various binary ion systems and highlighting the strong coupling between thermodynamics, kinetics, and confinement effects. The results provide new insights into cation exchange processes at clay interfaces and offer explanations for experimental observations at the molecular level.
APPLIED CLAY SCIENCE
(2021)
Article
Materials Science, Multidisciplinary
David C. Fairchild, Mohammad Hossain, Jesus Cordova, T. Grant Glover, Fernando J. Uribe-Romo
Summary: The successful separation of xenon and krypton using metal-organic frameworks relies on the polarizability of functional groups for increased xenon uptake, while selectivity is more related to pore-steric effects.
ACS MATERIALS LETTERS
(2021)
Article
Nanoscience & Nanotechnology
Sajjad Ghojavand, Benoit Coasne, Edwin B. Clatworthy, Remy Guillet-Nicolas, Philippe Bazin, Marie Desmurs, Luis Jacobo Aguilera, Valerie Ruaux, Svetlana Mintova
Summary: The CO2 adsorption behavior of nanosized chabazite (CHA) containing different compositions of extra-framework alkali metal cations (Na+, K+, Cs+) was investigated. The experimental results were in good agreement with the theoretical modeling, except for the Cs+-containing nanosized CHA sample. The FTIR study revealed that CO2 adsorbed mainly physically on all samples, with Na-CHA exhibiting significant micropore volume.
ACS APPLIED NANO MATERIALS
(2022)
Article
Chemistry, Physical
M. A. Torcivia, Steven M. E. Demers, Katherine L. Broadwater, Douglas B. Hunter
Summary: Separation of noble gases from air currently involves an energy-intensive and expensive cryogenic distillation process. This study explores the potential of Ag, Cu, and Pd functionalized zeolite chabazite as a more cost-effective alternative. The results show that Ag-functionalized chabazite exhibits the highest affinity for Xe, suggesting a mechanism involving the formation of Ag nanoclusters that alter the surface state of the chabazite and promote Xe adsorption.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Maria Castro, Mohamed Haouas, Ivy Lim, Hans J. Bongard, Ferdi Schuth, Francis Taulelle, Gunnel Karlsson, Viveka Alfredsson, Eric Breyneart, Christine E. A. Kirschhock, Wolfgang Schmidt
CHEMISTRY-A EUROPEAN JOURNAL
(2016)
Article
Chemistry, Physical
Irena Deroche, Lucia Gaberova, Guillaume Maurin, Philip Llewellyn, Maria Castro, Paul Wright
ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY
(2008)
Article
Chemistry, Multidisciplinary
Sam M. Stevens, Pablo Cubillas, Kjell Jansson, Osamu Terasaki, Michael W. Anderson, Paul A. Wright, Maria Castro
CHEMICAL COMMUNICATIONS
(2008)
Article
Chemistry, Multidisciplinary
Pablo Cubillas, Maria Castro, Kim E. Jelfs, Alan J. W. Lobo, Ben Slater, Dewi W. Lewis, Paul A. Wright, Sam M. Stevens, Michael W. Anderson
CRYSTAL GROWTH & DESIGN
(2009)
Article
Chemistry, Multidisciplinary
Valerie R. Seymour, Eike C. V. Eschenroeder, Maria Castro, Paul A. Wright, Sharon E. Ashbrook
Article
Chemistry, Physical
I. Deroche, L. Gaberova, G. Maurin, M. Castro, P. A. Wright, P. L. Llewellyn
JOURNAL OF PHYSICAL CHEMISTRY C
(2008)
Article
Chemistry, Physical
Maria Castro, Stewart J. Warrender, Paul A. Wright, David C. Apperley, Youssef Belmabkhout, Gerhard Pirngruber, Hyung-Ki Min, Min Bum Park, Suk Bong Hong
JOURNAL OF PHYSICAL CHEMISTRY C
(2009)
Article
Chemistry, Physical
Maria Castro, Valerie R. Seymour, Diego Carnevale, John M. Griffin, Sharon E. Ashbrook, Paul A. Wright, David C. Apperley, Julia E. Parker, Stephen P. Thompson, Antoine Fecant, Nicolas Bats
JOURNAL OF PHYSICAL CHEMISTRY C
(2010)
Article
Chemistry, Multidisciplinary
Despina Tzoulaki, Lars Heinke, Maria Castro, Pablo Cubillas, Michael W. Anderson, Wuzong Zhou, Paul A. Wright, Joerg Kaerger
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2010)
Article
Chemistry, Applied
I. Deroche, G. Maurin, P. L. Llewellyn, M. Castro, P. A. Wright
MICROPOROUS AND MESOPOROUS MATERIALS
(2008)
Article
Chemistry, Applied
M. Castro, M. Haouas, F. Taulelle, I. Lim, E. Breynaert, G. Brabants, C. E. A. Kirschhock, W. Schmidt
MICROPOROUS AND MESOPOROUS MATERIALS
(2014)
Article
Chemistry, Multidisciplinary
Maria Castro, Raquel Garcia, Stewart J. Warrender, Alexandra M. Z. Slawin, Paul A. Wright, Paul A. Cox, Antoine Fecant, Caroline Mellot-Draznieks, Nicolas Bats
CHEMICAL COMMUNICATIONS
(2007)
Article
Physics, Multidisciplinary
L. Heinke, P. Kortunov, D. Tzoulaki, M. Castro, P. A. Wright, J. Kaerger
Article
Chemistry, Multidisciplinary
K Schachl, E Turkusic, A Komersova, M Bartos, H Moderegger, I Svancara, H Alemu, K Vytras, M Jimenez-Castro, K Kalcher
COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS
(2002)
Article
Chemistry, Applied
Lulu Wan, Gan Ye, Yuying Chang, Zhaohan Yang, Guangming Shi, Qiuli Zhang, Jin Wang
Summary: This study developed an efficient approach to upgrade the oxidative desulfurization (ODS) performance of Zr-MOFs with proton stimulation. Experimental results showed that the introduction of protons can significantly improve the ODS efficiency. This work provides a facile and efficient strategy for enhancing the ODS performance of pristine MOFs.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Qiqi Lu, Xiu-Zhi Wei, Qi Zhang, Xinghua Zhang, Lungang Chen, Jianguo Liu, Yubao Chen, Longlong Ma
Summary: The application of Pd-M bimetallic clusters in the selective hydrogenation reaction was investigated, and the Pd0.6Ni@S-1 catalyst was found to exhibit high selectivity in the conversion of phenylacetylene to styrene. The confinement effect of zeolite inhibited over-hydrogenation and improved the stability of the catalysts. Furthermore, the solvent properties also influenced the product distribution.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Review
Chemistry, Applied
Bo Li, Lumin Hong, Changdi Jing, Xianyang Yue, Huabo Huang, Qianqian Jiang, Jianguo Tang
Summary: MOF materials with adjustable pore structure and polymetallic sites have been explored as electrocatalysts for OER. Bimetallic materials show higher electrocatalytic activity than monometallic materials, while carbon-coated and doped MOF catalysts exhibit stable and good OER activity. The synergistic interaction between polymetallic active sites effectively improves the intrinsic activity of MOF on OER.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Shichun Gu, Ruyi Wang, Junxiong Zhang, Hairong Dong, Liping Deng, Xue Wang, Yapeng He
Summary: In this study, monodispersed hollow mesoporous organosilica nanospheres with controlled core cavity and mesoporous shell were successfully synthesized. These hollow nanospheres showed a high adsorption capacity for Pb2+ in water solution and exhibited acceptable recycling and stability.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Lucie Havelkova, Bogdana Bashta, Michaela Vankova, Jiri Zednik, Jiri Brus, Jan Svoboda, Alice Vagenknechtova, Jan Sedlacek
Summary: An atom-economic one-step chain-growth coordination homopolymerization providing high yields of functionalized hyper-cross-linked polyacetylenes with a permanent micro/mesoporous texture and a BET area of up to 1062 m2/g is reported. The homopolymerization is highly compatible with the heteroatom groups of the monomers and allows the preparation of well-defined porous networks with a wide spectrum of univalent groups.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Shirui Pang, Yuxin Liu, Zhe Zhang, Yuxin Li, Chunguang Li, Zhan Shi, Shouhua Feng
Summary: This study focuses on using a functional separator to suppress the shuttle effect of soluble lithium polysulfides in Li-S batteries. It is found that the functionalized sulfonic acid group not only accelerates the conduction of lithium ions, but also repels polysulfide anions through electrostatic interactions. The performance of the batteries is significantly improved with the use of this functionalized separator.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Pingping Li, Lei Han, Donghun Kim, Kemal Celebi
Summary: This study presents a fast synthetic strategy for the preparation of high-quality platelike MFI crystals using a thin-wall tubular reactor. The strategy is efficient, time-saving, and can be optimized, making it applicable to the preparation and optimization of other important materials.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Haitao Yin, Wei Wang, Yuxin Li, Hu Wen, Shuang Chen, Nanzhe Jiang
Summary: This study presents a template-free and solid-state-like crystallisation method for the synthesis of ZSM-5 zeolite, which can be scaled-up in production. Mechanical mixing of starting material components improves the dispersion of materials, leading to ZSM-5 zeolite with high crystallinity and size uniformity.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Congli Li, Jiang Wang, Zhenfei Wang, Jinxiang Dong, Qi Shi
Summary: This study investigates the evolution and autoreduction behavior of Cu species in CuCl/NaY adsorbent during vacuum thermal activation. It is found that Cu species migrate from supercages to the nearby plane of the six-membered ring connecting the supercage and sod cage during vacuum activation. At 150 degrees C, vacuum autoreduction occurs, resulting in the formation of Cu+Cl- species. The results provide reference for the preparation of pi-complex adsorbents.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Irena Khatrin, Iman Abdullah, Alan J. Mccue, Yuni K. Krisnandi
Summary: Hierarchical porous system with two types of mesopores provides a solution to the diffusion limitation in conventional zeolites. Cobalt oxide impregnated hierarchical ZSM-5 zeolite samples with intra- and inter-crystalline mesopores were synthesized using two different strategies. The physicochemical properties of the modified catalysts were analyzed, revealing distinct features given by the two mesoporous configurations. Catalytic activity analysis showed that Co-oxide/ZSM-5 with inter-crystalline mesopores exhibited higher activity in methane partial oxidation reaction compared to Co-oxide/ZSM-5 with intra-crystalline mesopores.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Nataliia Reinders, Martin Durovic, Pavla Honcova, Zaneta Dohnalova, Jana Luxova, Stanislav Slang, Jhonatan Rodriguez-Pereira, Petra S. Sulcova
Summary: This study presents a new method for preparing a microporous Ni2P/C catalyst with high catalytic activity. The redox reaction and carbon matrix formation during high-temperature treatment contribute to the stability and activity of the catalyst. Experimental and analytical results suggest that the microporous structure of the composite plays a crucial role in its catalytic performance. These findings are important for practical applications of efficient hydrogen production by water electrolysis.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Ana Raquel Bertao, Viktoriya Ivasiv, Cristina Almeida-Aguiar, Patricia R. Correia, Antonio M. Fonseca, Manuel Banobre-Lopez, Fatima Baltazar, Isabel C. Neves
Summary: This study developed a zeolite-based delivery system (ZDS) using silver and 5-Fluorouracil as antimicrobial and antineoplastic agents. The ZDS was characterized and its antimicrobial properties were investigated, showing better antibacterial effectiveness for the ZDS containing both silver and 5-FU.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Naonobu Katada, Nobuki Ozawa, Etsushi Tsuji, Keigo Kanehara, Akiho Otsuka, Taiga Sakamoto, Kirari Umezawa, Hitoshi Matsubara, Satoshi Suganuma, Momoji Kubo
Summary: First principles calculations were used to investigate the pathway for methylation of benzene with methane catalyzed by MFI type zeolite-supported Co species. The strong adsorption of benzene on Co is found to lower the activation energy for methane dissociation and promote the formation of toluene precursor. The activation energy of methane dissociation is also affected by the Al-Al distance.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Yuan Liu, An T. Ta, Kyoung Chul Park, Shenyang Hu, Natalia B. Shustova, Simon R. Phillpot
Summary: We use density functional theory to investigate the interactions of cerium, americium, and curium cations with crown ethers. Our results demonstrate that crown ethers can capture cerium, americium, and curium ions, and modifying the crown ether structure by substituting nitrogen atoms for oxygen atoms significantly increases their binding energies with radionuclides.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Zhengwu Peng, Shixing Wang, Yihui Wu, Xiang Liu, Hongliang Liu, Dekun Zhang, Likang Fu
Summary: An efficient adsorbent for recovery of germanium was prepared and characterized in this study. The adsorption behavior of Ge(IV) on the adsorbent was analyzed, and the results showed that it follows pseudo-secondary kinetic model and Langmuir isotherm model. The adsorbent exhibited good anionic anti-interference ability and can still maintain high adsorption efficiency after repeated adsorption.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)