☆ 4.7 Article

Adsorption of CO2, CH4 and their binary mixture in Faujasite NaY: A combination of molecular simulations with gravimetry-manometry and microcalorimetry measurements

MICROPOROUS AND MESOPOROUS MATERIALS (2009)

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Journal

MICROPOROUS AND MESOPOROUS MATERIALS
Volume 119, Issue 1-3, Pages 117-128

Publisher

ELSEVIER SCIENCE BV
DOI: 10.1016/j.micromeso.2008.10.014

Keywords

Faujasite; CO2; CH4; Co-adsorption; Manometry; Microcalorimetry; Molecular simulation

Categories

Chemistry, Applied Chemistry, Physical Nanoscience & Nanotechnology Materials Science, Multidisciplinary

Funding

  1. ANR CO2 NoMAC [ANR-06-CO2-008]
  2. EU [SES6-020133]
  3. Research Training Network INDENS [MRTN-CT-2004-005503]

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The adsorption Of pure carbon dioxide and methane, and their equimolar mixture were explored in a model zeolite NaY by combining grand canonical Monte Carlo simulations and an original experimental approach based on gravinietry/manometry and manometry/microcalorimetry devices. Both experimental and calculated adsorption isotherms and enthalpy profiles obtained for the single gas and a 50/50 binary mixture are provided for pressures up to 30 bar. The gravimetry/manometry apparatus allows the determination of single gas and Mixture isotherms whereas the manometry/microcalorimetry system allows a direct access to the enthalpies of adsorption enabling also a validation of the computational work. The aim here is to fully characterize the interactions of the gas mixture in NaY which are thus compared to those for the single gas adsorption. In this way, the Computational Studies allow an understanding of the complex adsorption phenomena in play. These calculations which are based on different interatomic potentials available in the literature to describe the adsorbate/adsorbent and adsorbate/adsorbate interactions, consist first of selecting the most convenient set of potential parameters able to reproduce well the adsorption data for the pure components. These reliable force fields are thus transferred to the Study of the equimolar CO2/CH4 gas mixture. In agreement with the experiments. Our Simulations show a high selectivity of CO2 over CH4 in NaY for the whole range of pressure. We then report a complete exploration of the preferential adsorption sites for both adsorbates in the gas mixture which are compared to that observed for the pure component adsorption. The originality and the strength of this paper is thus to combine novel experimental tools and realistic models to provide a detailed Picture of the microscopic adsorption and co-adsorption mechanisms in NaY. (C) 2008 Elsevier Inc. All rights reserved.

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Evidence of 100 TeV γ-ray emission from HESS J1702-420: A new PeVatron candidate

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Article Astronomy & Astrophysics

A deep spectromorphological study of the γ-ray emission surrounding the young massive stellar cluster Westerlund 1

F. Aharonian, H. Ashkar, M. Backes, V. Barbosa Martins, Y. Becherini, D. Berge, B. Bi, M. Bottcher, M. de Bony de Lavergne, F. Bradascio, R. Brose, F. Brun, T. Bulik, C. Burger-Scheidlin, F. Cangemi, S. Caroff, S. Casanova, M. Cerruti, T. Chand, S. Chandra, A. Chen, O. Chibueze, P. Cristofari, J. Damascene Mbarubucyeye, A. Djannati-Atai, J-P Ernenwein, K. Feijen, G. Fichet de Clairfontaine, G. Fontaine, S. Funk, S. Gabici, Y. A. Gallant, S. Ghafourizadeh, G. Giavitto, L. Giunti, D. Glawion, J. F. Glicenstein, P. Goswami, M-H Grondin, L. K. Haerer, M. Haupt, J. A. Hinton, M. Horbe, W. Hofmann, T. L. Holch, M. Holler, D. Horns, M. Jamrozy, V Joshi, I Jung-Richardt, E. Kasai, K. Katarzynski, U. Katz, B. Khelifi, Nu Komin, K. Kosack, D. Kostunin, G. Kukec Mezek, R. G. Lang, S. Le Stum, A. Lemiere, M. Lemoine-Goumard, J-P Lenain, F. Leuschner, T. Lohse, A. Luashvili, I Lypova, J. Mackey, J. Majumdar, D. Malyshev, V Marandon, P. Marchegiani, A. Marcowith, G. Marti-Devesa, R. Marx, G. Maurin, M. Meyer, A. Mitchell, R. Moderski, L. Mohrmann, A. Montanari, E. Moulin, J. Muller, T. Murach, K. Nakashima, M. de Naurois, A. Nayerhoda, J. Niemiec, S. Ohm, L. Olivera-Nieto, E. de Ona Wilhelmi, M. Ostrowski, S. Panny, M. Panter, R. D. Parsons, G. Peron, D. A. Prokhorov, G. Puehlhofer, M. Punch, A. Quirrenbach, R. Rauth, P. Reichherzer, A. Reimer, O. Reimer, M. Renaud, B. Reville, F. Rieger, G. Rowell, B. Rudak, E. Ruiz-Velasco, V Sahakian, H. Salzmann, D. A. Sanchez, A. Santangelo, M. Sasaki, F. Schussler, H. M. Schutte, U. Schwanke, J. N. S. Shapopi, A. Specovius, R. Steenkamp, S. Steinmassl, C. Steppa, I Sushch, H. Suzuki, T. Takahashi, T. Tanaka, R. Terrier, C. Thorpe-Morgan, M. Tsirou, N. Tsuji, R. Tuffs, T. Unbehaun, C. van Eldik, B. van Soelen, M. Vecchi, J. Veh, C. Venter, J. Vink, S. J. Wagner, R. White, A. Wierzcholska, Y. Wun Wong, M. Zacharias, D. Zargaryan, A. A. Zdziarski, S. J. Zhu, S. Zouari, N. Zywucka, R. Blackwell, C. Braiding, M. Burton, K. Cubuk, M. Filipovic, N. Tothill, G. Wong

Summary: The study aimed to identify the physical processes behind gamma-ray emission around Westerlund 1 and understand the role of massive stellar clusters in Galactic cosmic ray acceleration. Using data from H.E.S.S., researchers detected large-scale gamma-ray emission with a shell-like structure near Westerlund 1. Despite the lack of clear correlation with gas clouds, the study concluded that Westerlund 1 is likely the main source of the gamma-ray emission in the region.

ASTRONOMY & ASTROPHYSICS (2022)

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Article Physics, Multidisciplinary

Search for Dark Matter Annihilation Signals in the HESS Inner Galaxy Survey

H. Abdalla, F. Aharonian, F. Ait Benkhali, E. O. Anguner, C. Armand, H. Ashkar, M. Backes, V Baghmanyan, V. Barbosa Martins, R. Batzofin, Y. Becherini, D. Berge, K. Bernlohr, B. Bi, M. Bottcher, J. Bolmont, M. de Bony de Lavergne, R. Brose, F. Brun, F. Cangemi, S. Caroff, M. Cerruti, T. Chand, A. Chen, G. Cotter, J. Damascene Mbarubucyeye, J. Devin, A. Djannati-Atai, A. Dmytriiev, V Doroshenko, K. Egberts, A. Fiasson, G. Fichet de Clairfontaine, G. Fontaine, S. Funk, S. Gabici, G. Giavitto, D. Glawion, J. F. Glicenstein, M-H Grondin, J. A. Hinton, W. Hofmann, T. L. Holch, M. Holler, D. Horns, Zhiqiu Huang, M. Jamrozy, F. Jankowsky, E. Kasai, K. Katarzynski, U. Katz, B. Khelifi, Nu Komin, K. Kosack, D. Kostunin, G. Lamanna, M. Lemoine-Goumard, J-P Lenain, F. Leuschner, T. Lohse, A. Luashvili, I Lypova, J. Mackey, D. Malyshev, D. Malyshev, V Marandon, P. Marchegiani, G. Marti-Devesa, R. Marx, G. Maurin, M. Meyer, A. Mitchell, R. Moderski, A. Montanari, E. Moulin, J. Muller, M. de Naurois, J. Niemiec, A. Priyana Noel, S. Ohm, L. Olivera-Nieto, E. de Ona Wilhelmi, M. Ostrowski, S. Panny, M. Panter, R. D. Parsons, G. Peron, V Poireau, H. Prokoph, G. Puehlhofer, M. Punch, A. Quirrenbach, P. Reichherzer, A. Reimer, O. Reimer, M. Renaud, F. Rieger, G. Rowell, B. Rudak, H. Rueda Ricarte, E. Ruiz-Velasco, V Sahakian, H. Salzmann, A. Santangelo, M. Sasaki, F. Schussler, H. M. Schutte, U. Schwanke, M. Senniappan, J. N. S. Shapopi, H. Sol, A. Specovius, C. Stegmann, S. Steinmassl, C. Steppa, T. Takahashi, T. Tanaka, R. Terrier, C. Thorpe-Morgan, M. Tluczykont, M. Tsirou, N. Tsuji, Y. Uchiyama, C. van Eldik, J. Veh, J. Vink, S. J. Wagner, R. White, A. Wierzcholska, Yu Wun Wong, M. Zacharias, D. Zargaryan, A. A. Zdziarski, A. Zech, S. J. Zhu, S. Zouari, N. Zywucka

Summary: This study presents the first results of a search for dark matter (DM) particle annihilation signals in the central region of the Milky Way using observations from the Inner Galaxy Survey conducted with the H.E.S.S. array of telescopes. No significant gamma-ray excess is found, and exclusion limits on the annihilation cross section are set assuming different DM density profiles. The constraints obtained are the strongest in the TeV DM mass range so far.

PHYSICAL REVIEW LETTERS (2022)

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Article Chemistry, Physical

Molecular Dynamics Simulation Study of Organic Solvents Confined in PIM-1 and P84 Polyimide Membranes

Mohammed-Lamine Ouinten, Anthony Szymczyk, Aziz Ghoufi

Summary: Organic solvent nanofiltration (OSN) is a promising separation process, and P84 polyimide membranes and PIM-1 membranes are commonly used in OSN due to their suitable resistance toward organic solvents. In order to understand the molecular mechanisms of solvent and solute permeation, molecular simulations were conducted on acetone, methanol, and toluene in contact with P84 and PIM-1 membranes. It was found that the solvent uptake by the membranes was influenced by solvent confinement, polymer swelling ability, and polymer/solvent interactions.

JOURNAL OF PHYSICAL CHEMISTRY B (2023)

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Article Chemistry, Physical

Adsorption and dynamics of linear and mono-branched hexane isomers in MIL-140 metal-organic frameworks

Hengli Zhao, Jose A. C. Silva, Adriano Henrique, Farid Nouar, Christian Serre, Guillaume Maurin, Aziz Ghoufi

Summary: Recent breakthrough experiments have identified iso-reticular Zr-MOFs, MIL-140B and MIL-140C, as promising sorbents for C6 isomer separation. The elution order of hexane isomers in MIL-140C exhibited an uncommon shift compared to MIL-140B, which was speculated to be caused by the flexibility of the MOFs. Through simulations, it was predicted that MIL-140B preferentially adsorbs n-C6 over 3MP, while MIL-140C slightly favors n-C6. The mobility of the isomers in MIL-140B and MIL-140C was found to be different, which explains the experimental inversion of elution order in MIL-140C.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2023)

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Article Chemistry, Multidisciplinary

Cutting-edge molecular modelling to unveil new microscopic insights into the guest-controlled flexibility of metal-organic frameworks

Hengli Zhao, Camille Pelgrin-Morvan, Guillaume Maurin, Aziz Ghoufi

Summary: Metal-organic frameworks are porous solids that exhibit flexibility upon guest adsorption. This study develops an osmotic molecular dynamics approach to simultaneously consider fluid adsorption process and material flexibility, providing unprecedented molecular insights into the flexibility of this class of materials.

CHEMICAL SCIENCE (2022)

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Proceedings Paper Computer Science, Artificial Intelligence

Multi-Task Architecture with Attention for Imaging Atmospheric Cherenkov Telescope Data Analysis

Mikael Jacquemont, Thomas Vuillaume, Alexandre Benoit, Gilles Maurin, Patrick Lambert

Summary: This study introduces a physically inspired multi-task deep neural network g-PhysNet for gamma-ray reconstruction and classification, surpassing single task networks on simulated data and demonstrating the value of reconstructing the impact point as an auxiliary task. Additionally, g-PhysNet outperforms a widespread analysis method for gamma-ray reconstruction.

VISAPP: PROCEEDINGS OF THE 16TH INTERNATIONAL JOINT CONFERENCE ON COMPUTER VISION, IMAGING AND COMPUTER GRAPHICS THEORY AND APPLICATIONS - VOL. 5: VISAPP (2021)

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Article Astronomy & Astrophysics

Search for dark matter annihilation in the Wolf-Lundmark-Melotte dwarf irregular galaxy with HESS

H. Abdallah, R. Adam, F. Aharonian, F. Ait Benkhali, E. O. Anguner, C. Arcaro, C. Armand, T. Armstrong, H. Ashkar, M. Backes, V Baghmanyan, V. Barbosa Martins, A. Barnacka, M. Barnard, Y. Becherini, D. Berge, K. Bernloehr, B. Bi, M. Bottcher, C. Boisson, J. Bolmont, M. de Bony de Lavergne, M. Breuhaus, F. Brun, P. Brun, M. Bryan, M. Buechele, T. Bulik, T. Bylund, S. Caroff, A. Carosi, S. Casanova, T. Chand, S. Chandra, A. Chen, G. Cotter, M. Curylo, J. Damascene Mbarubucyeye, I. D. Davids, J. Davies, C. Deil, J. Devin, P. DeWilt, L. Dirson, A. Djannati-Atai, A. Dmytriiev, A. Donath, V Doroshenko, C. Duffy, J. Dyks, K. Egberts, F. Eichhorn, S. Einecke, G. Emery, J-P Ernenwein, K. Feijen, S. Fegan, A. Fiasson, G. Fichet de Clairfontaine, G. Fontaine, S. Funk, M. Fuessling, S. Gabici, Y. A. Gallant, G. Giavitto, L. Giunti, D. Glawion, J. F. Glicenstein, D. Gottschall, M-H Grondin, J. Hahn, M. Haupt, G. Hermann, J. A. Hinton, W. Hofmann, C. Hoischen, T. L. Holch, M. Holler, M. Horbe, D. Horns, D. Huber, M. Jamrozy, D. Jankowsky, F. Jankowsky, A. Jardin-Blicq, V Joshi, I Jung-Richardt, E. Kasai, M. A. Kastendieck, K. Katarzynski, U. Katz, D. Khangulyan, B. Khelifi, S. Klepser, W. Kluzniak, Nu Komin, R. Konno, K. Kosack, D. Kostunin, M. Kreter, G. Lamanna, A. Lemiere, M. Lemoine-Goumard, J-P Lenain, C. Levy, T. Lohse, I Lypova, J. Mackey, J. Majumdar, D. Malyshev, D. Malyshev, V Marandon, P. Marchegiani, A. Marcowith, A. Mares, G. Marti-Devesa, R. Marx, G. Maurin, P. J. Meintjes, M. Meyer, R. Moderski, M. Mohamed, L. Mohrmann, A. Montanari, C. Moore, P. Morris, E. Moulin, J. Muller, T. Murach, K. Nakashima, A. Nayerhoda, M. de Naurois, H. Ndiyavala, F. Niederwanger, J. Niemiec, L. Oakes, P. O'Brien, H. Odaka, S. Ohm, L. Olivera-Nieto, E. de Ona Wilhelmi, M. Ostrowski, M. Panter, S. Panny, R. D. Parsons, G. Peron, B. Peyaud, Q. Piel, S. Pita, V Poireau, A. Priyana Noel, D. A. Prokhorov, H. Prokoph, G. Puhlhofer, M. Punch, A. Quirrenbach, S. Raab, R. Rauth, P. Reichherzer, A. Reimer, O. Reimer, Q. Remy, M. Renaud, F. Rieger, L. Rinchiuso, C. Romoli, G. Rowell, B. Rudak, E. Ruiz-Velasco, V Sahakian, S. Sailer, D. A. Sanchez, A. Santangelo, M. Sasaki, M. Scalici, F. Schussler, H. M. Schutte, U. Schwanke, S. Schwemmer, M. Seglar-Arroyo, M. Senniappan, A. S. Seyffert, N. Shafi, K. Shiningayamwe, R. Simoni, A. Sinha, H. Sol, A. Specovius, S. Spencer, M. Spir-Jacob, L. Stawarz, L. Sun, R. Steenkamp, C. Stegmann, S. Steinmassl, C. Steppa, T. Takahashi, T. Tavernier, A. M. Taylor, R. Terrier, D. Tiziani, M. Tluczykont, L. Tomankova, C. Trichard, M. Tsirou, R. Tuffs, Y. Uchiyama, D. J. van der Walt, C. van Eldik, C. van Rensburg, B. van Soelen, G. Vasileiadis, J. Veh, C. Venter, P. Vincent, J. Vink, H. J. Volk, T. Vuillaume, Z. Wadiasingh, S. J. Wagner, J. Watson, F. Werner, R. White, A. Wierzcholska, Yu Wun Wong, A. Yusafzai, M. Zacharias, R. Zanin, D. Zargaryan, A. A. Zdziarski, A. Zech, S. Zhu, J. Zorn, S. Zouari, N. Zywucka

Summary: The team studied the high-energy gamma rays from the WLM dwarf irregular galaxy as an indirect signal of dark matter, but did not observe any significant excess. They presented constraints on the velocity-weighted cross section for dark matter pair annihilation, reaching limits for different dark matter particle masses and continuum channels.

PHYSICAL REVIEW D (2021)

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Article Chemistry, Applied

Upgrading the oxidative desulfurization performance of metal-organic frameworks with proton stimulation

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)

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Article Chemistry, Applied

Efficient selective hydrogenation of terminal alkynes over Pd-Ni nanoclusters encapsulated inside S-1 zeolite

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)

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Review Chemistry, Applied

A review of series transition metal-based MOFs materials and derivatives for electrocatalytic oxygen evolution

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)

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Article Chemistry, Applied

One-step synthesis of hollow and yolk-shell mesoporous organosilica nanospheres for efficient separation of lead ions

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)

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Article Chemistry, Applied

Functionalized hyper-cross-linked porous homopolymers of ring-substituted 1,3-diethynylbenzenes and their physisorption activity

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)

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Article Chemistry, Applied

Sulfonic acid functionalized Al-based MIL-101-NH2 modified separator for lithium-sulfur batteries

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)

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Article Chemistry, Applied

A fast synthetic strategy for quick preparation and optimization of platelike MFI crystals

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)

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Article Chemistry, Applied

An eco-friendly method for the scale-up synthesis of ZSM-5 Zeolite

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)

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Article Chemistry, Applied

Understanding the vacuum autoreduction behavior of Cu species in CuCl/ NaY adsorbent for CO/N2 separation

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)

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Article Chemistry, Applied

Mesoporous configuration effects on the physicochemical features of hierarchical ZSM-5 supported cobalt oxide as catalysts in methane partial oxidation

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)

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Article Chemistry, Applied

High-temperature preparation of Ni2P suspended within carbon matrix and its potential as HER electrocatalyst

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)

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Article Chemistry, Applied

Preliminary evaluation of zeolite-based platforms as potential dual drug delivery systems against microbial infections in the tumor microenvironment

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)

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Article Chemistry, Applied

Methylation of benzene with methane induced by strong adsorption of benzene on Co ion at α-position in zeolite with moderate Al-Al distance

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)

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Article Chemistry, Applied

Binding of radionuclides and surrogate to 18-crown-6 ether by density functional theory

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)

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Article Chemistry, Applied

Synthesis of novel MOF for adsorption of germanium: Kinetics, isotherm and thermodynamics

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)

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