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Tautomerization reactions of thiobarbituric acid: A detailed kinetic study using combined canonical variational transition state theory and QTAIM approach

期刊: INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 2023; 55 (5)

The kinetics of tautomerization reactions of thiobarbituric acid were thoroughly investigated at the B3LYP/6-311+G(3df,2p) level of theory and elevate......

Removal efficiency of arsenic in water using desulfurization slag

期刊: INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 2023; 55 (6)

The steel industry in Taiwan produces more than 3 million tons of steelmaking slag per year on average. Conventional solidification and landfilling me......

Kinetic regularities of resolution of amines racemates in the acylation reaction with chiral N-protected amino acids esters

期刊: INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 2023; 55 (11)

In this work, the kinetic and stereochemical regularities of the kinetic resolution of the 1-phenylethylamine racemate in the acylation reaction under......

Kinetics of the cross-reaction of CH3O2 + HO2 radicals measured in the Highly Instrumented Reactor for Atmospheric Chemistry

期刊: INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 2023; 55 (8)

The sensitive Fluorescence Assay by Gas Expansion (FAGE) method has been used to detect methyl peroxy (CH3O2) and hydroperoxyl (HO2) radicals after th......

Kinetics and thermodynamics of non-isothermal pyrolysis of Terminalia chebula branches at different heating rates

期刊: INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 2023; ()

Non-isothermal thermogravimetric tests of Terminalia chebula (Helikha) were conducted under inert N-2 gas environment for temperatures (25-900 & D......

Abstraction and addition reactions of four γ-lactones with H-atoms and methyl radicals

期刊: INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 2023; 55 (6)

The five-membered cyclic esters, or gamma-lactones, are promising candidates as biofuel additives and green solvent components. A comprehensive study ......

Aqueous-phase reforming of model compounds of wet biomass to hydrogen on alumina-supported metal catalysts

期刊: INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 2023; ()

Catalytic aqueous-phase reforming (APR) of wet biomass such as microalgae and activated sludge is a potential technique for the production of H-2-rich......

Thermal behavior and decomposition kinetics of nitro-1,2,4-triazol-3-one by gas manometric technique

期刊: INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 2023; 55 (4)

Isothermal decomposition kinetics play an important role in the stability assessment, risk assessment, and reaction mechanism inference of energetic m......

Temperature-dependent kinetics of the reactions of CH2OO with acetone, biacetyl, and acetylacetone

期刊: INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 2023; 55 (3)

Temperature-dependent rate constants for the reactions of CH2OO with acetone (Ac), biacetyl (BiAc), and acetylacetone (AcAc) have been measured over t......

Modeling of micellar-catalyzed bimolecular ionic reactions by a nonlinear Poisson-Boltzmann equation and an electrostatic free energy model

期刊: INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 2023; 55 (8)

The hydrolysis reactions of crystal violet (CV) and p-nitrophenyl acetate (PNPA) by sodium hydroxide in cetyltrimethylammonium bromide (CTAB) micellar......

Kinetic and equilibrium studies of adsorption of acid blue dye onto preformed flocs as adsorbents

期刊: INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 2023; 55 (9)

Adsorption studies of decolorization of Acid blue dye by using novel adsorbents of preformed flocs of Aluminum Sulphate, Ferric Chloride, and Ferrous ......

Esterification of butyric acid with n-butanol: Kinetic study using experimental data and modeling

期刊: INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 2023; ()

Present study involves the investigation of the esterification kinetics between butyric acid and n-butanol. This reaction was conducted in a batch rea......

Investigation of kinetic triplets and thermodynamic parameters of different species of bamboo-biomass from North-East India

期刊: INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 2023; 55 (7)

Bamboo is abundantly available in India, particularly in the North East regions which can provide a significant energy opportunity in this region. The......

Theoretical kinetics investigations of the reaction HO plus SO ⇆ H + SO2 on an accurate full-dimensional potential energy surface

期刊: INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 2023; 55 (8)

The reaction HO + SO -> H + SO2 (R-t) and its reverse (R-t) play an important role in environment and the combustion of sulfur-containing fuels. Ho......

Comparative study of the high-temperature auto-ignition of cyclopentane and tetrahydrofuran

期刊: INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 2023; ()

Cyclopentane (C5H10) and tetrahydrofuran (C4H8O) are both five-membered ring compounds. The present study compares the auto-ignition of cyclopentane a......

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