4.7 Article

Combined volumetric, infrared spectroscopic and theoretical investigation of CO2 adsorption on Na-A zeolite

Journal

MICROPOROUS AND MESOPOROUS MATERIALS
Volume 146, Issue 1-3, Pages 97-105

Publisher

ELSEVIER SCIENCE BV
DOI: 10.1016/j.micromeso.2011.03.034

Keywords

Na-A zeolite; Carbon dioxide; Adsorption; Infrared spectroscopy; Density functional theory

Funding

  1. Czech Republic [203/08/0604]
  2. GA CR [203/09/0143]
  3. MEYS [MSM0021620857]

Ask authors/readers for more resources

Adsorption isotherms of carbon dioxide on the Na-A zeolite were measured in the temperature range from 273 to 333 K. Henry's constants and isosteric adsorption heats calculated from the temperature dependence of CO2 isotherms were combined with results of the variable temperature IR spectroscopy to obtain a spectroscopic signature of adsorption complexes and corresponding thermodynamic characteristics. The adsorption of CO2 in Na-A zeolite was also investigated computationally, using a periodic density functional model improved for the proper description of dispersion interactions. Based on a good agreement between experimental and calculated adsorption heats and shifts of asymmetric CO2 stretching frequency due to adsorption the following model of CO2/Na-A system is proposed: (i) CO2 adsorption complexes formed at a low coverage involves interaction of CO2 with three Na+ cations in the LTA supercage; they are characterized by the IR band at 2349 cm(-1). (ii) CO2 adsorption complexes at higher coverages are formed between a pair of Na+ cations; they are characterized by the IR band centered at 2360 cm(-1). Almost half of the interaction energy between CO2 and Na-A is due to the dispersion interaction. (C) 2011 Published by Elsevier Inc.

Authors

I am an author on this paper
Click your name to claim this paper and add it to your profile.

Reviews

Primary Rating

4.7
Not enough ratings

Secondary Ratings

Novelty
-
Significance
-
Scientific rigor
-
Rate this paper

Recommended

Article Nanoscience & Nanotechnology

Sonogashira Synthesis of New Porous Aromatic Framework-Entrapped Palladium Nanoparticles as Heterogeneous Catalysts for Suzuki-Miyaura Cross-Coupling

Lidia Cata, Natalia Terenti, Cristina Cociug, Niculina Daniela Hadade, Ion Grosu, Cristina Bucur, Bogdan Cojocaru, Vasile Parvulescu, Michal Mazur, Jiri Cejka

Summary: This study reports a simple approach to self-entrapping palladium nanoparticles within porous aromatic frameworks (PAFs) to form active nanocatalysts. The PAF-entrapped Pd nanocatalysts showed high catalytic activity and stability in Suzuki-Miyaura cross-coupling reactions, as demonstrated by various characterization techniques and catalytic experiments.

ACS APPLIED MATERIALS & INTERFACES (2022)

Correction Chemistry, Physical

Mechanism of Zeolite Hydrolysis under Basic Conditions (vol 33, pg 9202, 2021)

Mengting Jin, Mingxiu Liu, Petr Nachtigall, Lukas Grajciar, Christopher James Heard

CHEMISTRY OF MATERIALS (2022)

Article Chemistry, Inorganic & Nuclear

MWW-type zeolite nanostructures for a one-pot three-component Prins-Friedel-Crafts reaction

Roman Barakov, Nataliya Shcherban, Oleg Petrov, Jan Lang, Mariya Shamzhy, Maksym Opanasenko, Jiri Cejka

Summary: The one-pot Prins-Friedel-Crafts reaction catalyzed by large-pore zeolites is an environmentally friendly route to valuable heterocyclic compounds. The catalytic behavior of a set of MWW zeolite catalysts with varying textural properties and chemical compositions was investigated and compared to that of a large pore beta zeolite. The MWW zeolites showed similar selectivities towards targeted products containing a 4-arylhetrahydropyran moiety, with high concentration and enhanced accessibility of acid sites being key factors for achieving high conversion and selectivity.

INORGANIC CHEMISTRY FRONTIERS (2022)

Article Chemistry, Physical

Accurate large-scale simulations of siliceous zeolites by neural network potentials

Andreas Erlebach, Petr Nachtigall, Lukas Grajciar

Summary: The computational discovery and design of zeolites using neural network potentials (NNP) has been demonstrated to be effective in identifying stable and reactive frameworks. This approach has also unveiled numerous hypothetical zeolite frameworks within the thermodynamically accessible range of synthesis.

NPJ COMPUTATIONAL MATERIALS (2022)

Article Chemistry, Multidisciplinary

Encapsulating Metal Nanoparticles into a Layered Zeolite Precursor with Surface Silanol Nests Enhances Sintering Resistance

Ang Li, Yuyan Zhang, Christopher J. J. Heard, Kinga Golabek, Xiaohui Ju, Jiri Cejka, Michal Mazur

Summary: The silanol-rich layered zeolite IPC-1P is used to stabilize ultra-small Rh nanoparticles, preventing sintering at high temperatures. Different architectures, such as microporous and mesoporous, can be prepared by adjusting IPC-1P interlayer space through swelling.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2023)

Review Chemistry, Multidisciplinary

Recent Advances in Tetra- (Ti, Sn, Zr, Hf) and Pentavalent (Nb, V, Ta) Metal-Substituted Molecular Sieve Catalysis

Steven L. Suib, Jan Prech, Ewelina Szaniawska, Jiri Cejka

Summary: Metal substitution in molecular sieve systems is a driving force for developing novel catalytic processes in green chemistry and achieving sustainability in the chemical industry and our everyday life. Metal-substituted molecular sieves provide advantages such as high surface areas, molecular sieving effects, confinement effects, and variability and stability in active site and morphology.

CHEMICAL REVIEWS (2023)

Article Chemistry, Applied

Beyond traditional synthesis of zeolites: The impact of germanosilicate chemistry in the search for new materials

Ondrej Vesely, Russell E. Morris, Jiri Cejka

Summary: Zeolites are key materials in the chemical industry, with diverse applications ranging from water purification to oil refining. Recent research has focused on specialized applications such as fine chemical synthesis and small organic compound separation, driving the need for new zeolites with unique structural and chemical properties. Tailored organic structure-directing agents, particularly the introduction of germanium, have led to the discovery of numerous new extra-large pore zeolites for selective catalysis. Furthermore, the germanosilicate chemistry provides unparalleled opportunities for tailoring zeolite-derived materials through controlled post-synthetic transformations, resulting in the development of porous materials with customized characteristics and properties.

MICROPOROUS AND MESOPOROUS MATERIALS (2023)

Article Chemistry, Inorganic & Nuclear

Exfoliating layered zeolite MFI into unilamellar nanosheets in solution as precursors for the synthesis of hierarchical nanocomposites and oriented films

Wieslaw J. Roth, Takayoshi Sasaki, Karol Wolski, Barbara Gil, Szczepan Zapotoczny, Jiri Cejka, Martin Kubu, Michal Mazur, Yasuo Ebina, Nobuyuki Sakai, Dai-Ming Tang, Renzhi Ma

Summary: This article introduces a soft-chemical treatment method that can exfoliate layered zeolite MFI into nanosheets, which can be used for the synthesis of layer-based hierarchical and nanocomposite materials. The obtained nanosheets have uniform hydrated thickness and can be reassembled into self-standing discs or films, preserving high acid site concentration and porosity. The oriented MFI films formed by this method can be applied in catalysis and separations.

INORGANIC CHEMISTRY FRONTIERS (2023)

Article Chemistry, Multidisciplinary

Dynamical Equilibrium between Bronsted and Lewis Sites in Zeolites: Framework-Associated Octahedral Aluminum

Mengting Jin, Manoj Ravi, Chen Lei, Christopher J. Heard, Federico Brivio, Zdenek Tosner, Lukas Grajciar, Jeroen A. van Bokhoven, Petr Nachtigall

Summary: Through experimental Al-27 NMR spectroscopy and computational data, this study reveals the detailed structure and formation mechanisms of zeolite framework-associated octahedral aluminium for the first time. The octahedral Lewis acid site becomes kinetically allowed and thermodynamically stable under wet conditions in the presence of multiple nearby Bronsted acid sites. The critical condition for the existence of such octahedral Lewis acid sites appears to be the availability of three protons.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2023)

Article Chemistry, Multidisciplinary

Catching a New Zeolite as a Transition Material during Deconstruction

Qiudi Yue, Gwladys Steciuk, Michal Mazur, Jin Zhang, Oleg Petrov, Mariya Shamzhy, Mingxiu Liu, Lukas Palatinus, Jiri Cejka, Maksym Opanasenko

Summary: Zeolites are important materials for research and industry, but current synthesis methods are limited. Harsh hydrothermal conditions are required for classical procedures, and post-synthesis methods are only suitable for certain parent materials. However, by stopping degradation at intermediate structures, a new highly crystalline zeolite, IPC-20, was obtained from the parent zeolite IWV through seed-assisted crystallization and gentle transformation. This approach can be applied to any labile material with a staged structure.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2023)

Review Chemistry, Multidisciplinary

Current State and Perspectives of Exfoliated Zeolites

Wieslaw J. Roth, Maksym Opanasenko, Michal Mazur, Barbara Gil, Jiri Cejka, Takayoshi Sasaki

Summary: This article provides an overview of the latest research progress on the exfoliation of zeolites into monolayers. It highlights three main challenges in the field, discusses the feasibility of exfoliation, uniform layer thickness, and potential applications. Four zeolites have been confirmed to directly exfoliate into monolayers, and their characterization methods are introduced. The future directions include the preparation of oriented films and membranes, hierarchical nanocomposites with other active species, and intimate mixtures with other materials.

ADVANCED MATERIALS (2023)

Article Chemistry, Multidisciplinary

Performance of Nanosponge and Nanosheet Al- and Ga-MFI Zeolites in Catalytic Pyrolysis of Biomass and Plastics

Francisco Artillo, Yuyan Zhang, Maria del Mar Alonso-Doncel, Lidia Amodio, Michal Mazur, Patricia Pizarro, Kveta Kalikova, Jiri Cejka, David P. Serrano

Summary: MFI zeolitic materials in the form of nanosponges (nSP) and nanosheets (nSH) incorporating Al and Ga into the framework were synthesized. The catalytic performance of the Al- and Ga-MFI samples in the pyrolysis of LDPE and oak wood was compared, and it was found that nanosponge zeolites showed superior cracking and deoxygenation activity, while Ga-containing materials favored dehydrogenation reactions and enhanced production of aromatic hydrocarbons.

ACS SUSTAINABLE CHEMISTRY & ENGINEERING (2023)

Article Chemistry, Multidisciplinary

The need for operando modelling of Al-27 NMR in zeolites: the effect of temperature, topology and water

Chen Lei, Andreas Erlebach, Federico Brivio, Lukas Grajciar, Zdenek Tosner, Christopher J. Heard, Petr Nachtigall

Summary: Solid state (ss-) Al-27 NMR is a valuable tool for characterizing zeolites, but its interpretation is complex and aluminum distributions are difficult to determine. Computational modeling has become popular to support experimental characterization, but simplifying assumptions are often made without justification. This study evaluates the effects of different models on the prediction of Al-27 NMR chemical shifts in zeolites and highlights the importance of operando modeling and considering factors like water loading, temperature, and cation characteristics. Machine learning regression is used to develop a relationship between chemical shifts and structural parameters, allowing for accurate prediction from dynamic simulations.

CHEMICAL SCIENCE (2023)

Article Chemistry, Inorganic & Nuclear

Modified reverse ADOR assembles Al-rich UTL zeolite from IPC-1P layers

Ondrej Vesely, Michal Mazur, Jan Prech, Jirf Cejka

Summary: This study modified the Reverse ADOR process to prepare extra-Large pore zeolite UTL, incorporating a high amount of aluminium into the framework. The modified process significantly reduces synthesis time and improves catalytic performance of the reconstructed UTL zeolite.

INORGANIC CHEMISTRY FRONTIERS (2022)

Article Nanoscience & Nanotechnology

Sonogashira Synthesis of New Porous Aromatic Framework-Entrapped Palladium Nanoparticles as Heterogeneous Catalysts for Suzuki-Miyaura Cross-Coupling

Lidia Cata, Natalia Terenti, Cristina Cociug, Niculina Daniela Hadade, Ion Grosu, Cristina Bucur, Bogdan Cojocaru, Vasile Parvulescu, Michal Mazur, Jiri Cejka

Summary: This study introduces a new approach for self-entrapping Pd nanoparticles within the PAF structure, leading to efficient catalytic reactions. The PAF-entrapped Pd nanocatalysts synthesized via Sonogashira cross-coupling showed high catalytic activity and stability in Suzuki-Miyaura coupling reactions.

ACS APPLIED MATERIALS & INTERFACES (2022)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)