To obtain reliable thermodynamic data on substituted triazines, it is necessary to use a calorimeter that is capable of high precision with small quantities of sample and in which a homogeneous solution of the corrosive combustion products can be maintained. The enthalpies of combustion of six substituted triazines have been determined in a platinum-lined adiabatic rotating bomb calorimeter. These are the first determinations of enthalpies of combustion or formation to have been reported for these compounds. The values derived for the enthalpies of formation in kJ/mol at 25 °C are as Follows: 2,4,6-trimethoxy-l,3,5-triazine, - 478.60± 0.87; 2,4,6-triethozy- 1,3,5-triazine, - 584.99± 1.50; 2,4,6-tris(2-fluoro-2,2-dinitroethoxy)-l,3,5-triazine, -1109.80±l.53; 2,4-dimethoxy-6-(2-fluoro-2,2-dimtroethoxy)-l,3,5-triazine, -697.08± 1,15; 2-methoxy- 4,6-bis(2-fluoro-2,2-dinitroethoxy)-l,3,5-triazine, -907.71± 2.40; 2-amino-4,6-bis(2-fluoro-2,2-dinitroethoxy)-l,3,5-triazine, - 773-12±1.50.
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http://dx.doi.org/10.6028/jres.090.018 | DOI Listing |
J Mol Model
November 2024
School of Chemistry and Life Sciences, Hanoi University of Science and Technology, Hanoi, Vietnam.
Context: The propargyl radical plays a critical role in various chemical processes, including hydrocarbon combustion, flame synthesis, and interstellar chemistry. Its unique stability arises from the delocalization of π-electrons, allowing it to participate in a wide range of reactions despite being a radical. The self-reaction of propargyl radicals is a fundamental step in synthesizing polycyclic aromatic hydrocarbons.
View Article and Find Full Text PDFEnviron Pollut
December 2024
Fujian Provincial Transportation Research Institute Co., Ltd, Fuzhou, 350004, China. Electronic address:
The Volatile Organic Compounds (VOCs) in asphalt fume is widely concerned currently due to its biological toxicity, while the negative effects by asphalt Gaseous Inorganic Compounds (GICs) have not been well quantified and addressed yet. The study investigated the thermodynamic characteristics of base and modified asphalt binders during the multiple phases of releasing the GICs, then the releasing amounts and concentrations of GICs were quantified by fume analyzer. Meanwhile, the environmental impacts of GICs from 4 kinds of asphalt binders have been quantified and interpreted.
View Article and Find Full Text PDFMolecules
July 2024
IMT Nord Europe, Institut Mines-Télécom, University Lille, Centre for Energy and Environment, 59000 Lille, France.
The kinetics of the F reaction with thiirane (CHS) was studied for the first time in a flow reactor combined with mass spectrometry at a total helium pressure of 2 Torr and in the temperature range of 220 to 800 K. The rate constant of the title reaction was determined under pseudo-first-order conditions, either monitoring the kinetics of F or CHS consumption in excess of thiirane or of F, respectively: = (5.79 ± 0.
View Article and Find Full Text PDFNanomaterials (Basel)
July 2024
Institute for Energy and Materials Processes-Reactive Fluids, University of Duisburg-Essen, 47057 Duisburg, Germany.
Since solid electrolytes have a broad electrochemical stability window, are exceptionally electrochemically stable against Li metal, and function as a physical separator to prevent dendrite growth, they are at the forefront of alternate possibilities, further increasing the stability and energy density of Li-ion batteries. NASICON-type electrolytes are a promising candidate due to their negligible moisture sensitivity, which results in outstanding stability and a lower probability of LiCO passivity under the ambient atmosphere. However, one of the most promising representatives, LiYZr(PO) (LYZP), has multiple stable phases with significant variation in their corresponding Li-ion conductivity.
View Article and Find Full Text PDFACS Earth Space Chem
July 2024
Center for Computational Quantum Chemistry, University of Georgia, Athens, Georgia 30602, United States.
The ethynyl radical, CH, is found in a variety of different environments ranging from interstellar space and planetary atmospheres to playing an important role in the combustion of various alkynes under fuel-rich conditions. Hydrogen-atom abstraction reactions are common for the ethynyl radical in these contrasting environments. In this study, the CH + HX → CH + X, where HX = HNCO, -HONO, -HONO, CH, and CHOH, reactions have been investigated at rigorously high levels of theory, including CCSD(T)-F12a/cc-pVTZ-F12.
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