Article
Chemistry, Inorganic & Nuclear
N. Matskevich, A. N. Semerikova, V. A. Trifonov, D. Kochelakov, I. Korolkov, V. N. Shlegel, M. Yu Matskevich, O. Anyfrieva
Summary: Cesium dimolybdate (Cs2Mo2O7) single crystal was successfully grown using a low-temperature-gradient Czochralski technique. Cs2Mo2O7 is a promising material for investigating rare events, and cesium (Cs) is an important fission product for assessing severe accident consequences. The standard formation enthalpy, lattice enthalpy, and stabilization energy of Cs2Mo2O7 were determined for the first time. The results showed that Cs2Mo2O7 is thermodynamically stable at room temperature compared to the decomposition into simple oxides (Cs2O, MoO3).
JOURNAL OF SOLID STATE CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
N. I. Matskevich, A. N. Semerikova, V. P. Zaitsev, M. Yu. Matskevich, A. Yu. Novikov
Summary: Bismuth niobates doped with lutetium and dysprosium were synthesized by solid-state reaction. The standard formation enthalpies and lattice enthalpies of the compounds were studied and it was found that they increased with decreasing radius of the rare-earth element. Linear relationships between lattice enthalpies, standard formation enthalpies and rare-earth element radii were derived to predict the thermodynamic characteristics of uninvestigated compounds. The heat capacity of the compound with dysprosium was measured and a phase transition was observed at around 500 K. The compound with lutetium was found to be the most thermodynamically stable and preferred for application.
JOURNAL OF SOLID STATE CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Simone Pezzotti, Federico Sebastiani, Eliane P. van Dam, Sashary Ramos, Valeria Conti Nibali, Gerhard Schwaab, Martina Havenith
Summary: Hydration free energies are determined by the delicate balance between hydrophobic and hydrophilic interactions. A spectroscopic approach using THz spectroscopy allows direct access to the contributions of cavity formation and hydrophilic interactions, and enables the separate determination of the thermodynamic effects of hydrophobic and hydrophilic interactions.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Materials Science, Multidisciplinary
Vitaliy G. Goncharov, Juejing Liu, Andrew Strzelecki, Arjen van Veelen, Chris Benmore, Hakim Boukhalfa, Joshua T. White, Hongwu Xu, Xiaofeng Guo
Summary: In order to facilitate the application of uranium monocarbide (UC) as an advanced nuclear fuel in high-temperature reactors, it is important to have a comprehensive understanding of its thermal and thermodynamic properties under reactor operational conditions. This study employed simultaneous thermal analysis and high temperature oxide melt drop solution calorimetry to investigate the thermal bulk oxidation and thermodynamic stability of UC. The results revealed a step-wise thermal oxidation process and provided insights into the enthalpies of reactions involved in the oxidation reactions, as well as the structural characteristics of UC.
JOURNAL OF NUCLEAR MATERIALS
(2023)
Article
Polymer Science
Nandy Canavy, Antoine Rouilly, Christophe Drouet, Carole Thouron, Maelenn Aufray
Summary: Flax fibers are important in composite fabrication due to their natural availability and mechanical properties close to glass fibers. This study investigates the interaction between flax fibers and epoxy-amine polymers. The results show that flax fibers exhibit significant exothermic interaction with DETA, while there is no quantitative interaction with DGEBA. Cellulose, a major component of flax fibers, contributes the most to the overall effect on the glass transition temperature.
Article
Materials Science, Multidisciplinary
Vitaliy G. Goncharov, Juejing Liu, Arjen van Veelen, Kyle Kriegsman, Chris Benmore, Chengjun Sun, Shelly Kelly, Joshua T. White, Hongwu Xu, Xiaofeng Guo
Summary: This study investigated the thermal behavior and thermodynamic stability of Uranium mononitride (UN) using thermal analysis and high temperature calorimetry. The results showed that the oxidation of UN in air is a step-wise process. Synchrotron X-ray diffraction and extended X-ray absorption fine structure analysis were performed to characterize UN and its final oxidized product. Furthermore, a negative linear correlation between the standard enthalpy of formation of UN and the N/U molar ratio was established.
JOURNAL OF NUCLEAR MATERIALS
(2022)
Article
Thermodynamics
I. A. Bajenova, E. V. Gvozdeva, A. V. Khvan, V. V. Cheverikin
Summary: In this study, the enthalpies of formation for intermetallic compounds between Tb, Ho, Er, and Co or Fe were determined experimentally, providing important data for the investigation of these compounds.
THERMOCHIMICA ACTA
(2023)
Article
Thermodynamics
Federica D'Aria, Bruno Pagano, Concetta Giancola
Summary: Cyclodextrins (CDs) have been shown to improve the stability, solubility, and bioavailability of various molecules, with low toxicity for different routes of administration. Isothermal titration calorimetry (ITC) is a key method for studying cyclodextrin/guest interaction, providing important thermodynamic parameters simultaneously.
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
(2022)
Article
Construction & Building Technology
K. -D. Grevel, F. Bellmann, J. Majzlan, E. Dachs, A. Benisek, H. -M. Ludwig
Summary: The study investigated the crystalline phases of Ca2SiO4 in Portland cement clinker through calorimetry, recording and comparing low-temperature heat capacity data. Recommended values for beta-C2S and gamma-C2S were obtained.
CEMENT AND CONCRETE RESEARCH
(2022)
Article
Thermodynamics
S. V. Tarazanov, V. A. Lukyanova, D. Yu. Ilin, O. V. Dorofeeva, A. I. Druzhinina, S. M. Pimenova
Summary: The liquid phase standard molar enthalpy of formation of 2-methyltetrahydrofuran was determined by isoperibolic calorimetry of combustion. The purity of the sample was determined by the g.l.c and the cryoscopic methods, and the gas phase enthalpy of formation was obtained using available enthalpy of vaporization. This value agrees well with that calculated by DLPNO-CCSD(T1)/CBS method.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2022)
Article
Nanoscience & Nanotechnology
John Akintola, Zachary A. Digby, Joseph B. Schlenoff
Summary: A new type of desiccants called complexed polyelectrolytes (PECs) is developed to remove water from liquids and gases, utilizing the water affinity of charged polymer repeat units. PECs made from combinations of positive and negative polymers exhibit significant exothermic enthalpies of hydration. Among them, the PEC made from poly-(diallyldimethylammonium) and poly(styrene sulfonate) demonstrates similar drying efficiency as traditional desiccants but can be regenerated at a lower temperature and produces fewer dust particles.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Thermodynamics
Paola Rodriguez-Estupinan, Ingrid Miranda-Carvajal, Paula Cantor Campos, Carlos Alberto Guerrero-Fajardo, Liliana Giraldo, Juan Carlos Moreno-Pirajan
Summary: This review paper focuses on the synthesis methods of graphene-based materials and the characterization of their thermal properties and surface-molecule interactions using calorimetric techniques. The results show that graphene materials are well dispersed and exhibit improved mechanical and electrical properties in nanocomposites. Graphene is compatible with metals such as aluminum, while GO is compatible with silver, leading to decorated nanocomposites.
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
(2022)
Article
Thermodynamics
Mikhail Yagofarov, Andrey A. Sokolov, Marat A. Ziganshin, Timur A. Mukhametzyanov, Boris N. Solomonov
Summary: Thermodynamic parameters of fusion play a crucial role in determining the solubility and stability of crystalline materials, making them important in the field of pharmaceutics. However, traditional methods such as differential scanning calorimetry face challenges due to evaporation and degradation at high temperatures. This study developed independent approaches, including solution calorimetry and fast scanning calorimetry, to accurately determine the thermodynamic parameters of melting for two active pharmaceutical ingredients. The results provide a consistent set of fusion enthalpies and heat capacities, demonstrating the viability of the solution calorimetry approach for polyfunctional organic molecules and its potential applications in studying pharmaceutically active compounds.
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
(2023)
Article
Chemistry, Multidisciplinary
Julian Loeffler, Sofie M. P. Vanden Broeck, Catherine S. J. Cazin, Steven P. Nolan, Viktoria H. Gessner
Summary: Ylide-functionalized phosphines (YPhos) have been shown to be highly donating ligands in gold(I)-mediated reactions, with high binding strengths. A calorimetric study of the [Au(YPhos)Cl] system revealed the enthalpies of YPhos-Au bond dissociation, which were found to correlate with the electronic properties of the ligands. Computational methods can be used to conveniently derive the reaction enthalpies, making them easily accessible descriptors for quantifying ligand donor properties.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Physical
G. G. Gorboletova, S. A. Bychkova, K. O. Frolova
Summary: This study uses direct calorimetry to investigate the thermodynamic properties and possible structures of complexes formed by Ni(II) and diglycine in aqueous solutions.
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A
(2022)
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)