Showing papers on "Reaction rate constant published in 2013"
TL;DR: In this paper, a detailed chemical kinetic mechanism for hydrogen and H2/CO (syngas) mixtures has been updated, rate constants have been adjusted to reflect new experimental information obtained at high pressures and new rate constant values recently published in the literature, and good agreement was observed.
576 citations
TL;DR: The two distinct CH3CHOO conformers, syn- and anti-, both of which react readily with SO2 and with NO2, are probed, and it is demonstrated that anti-CH 3CHOO is substantially more reactive toward water and SO2 than is syn-CH3 CHOO.
Abstract: Although carbonyl oxides, “Criegee intermediates,” have long been implicated in tropospheric oxidation, there have been few direct measurements of their kinetics, and only for the simplest compound in the class, CH2OO. Here, we report production and reaction kinetics of the next larger Criegee intermediate, CH3CHOO. Moreover, we independently probed the two distinct CH3CHOO conformers, syn- and anti-, both of which react readily with SO2 and with NO2. We demonstrate that anti-CH3CHOO is substantially more reactive toward water and SO2 than is syn-CH3CHOO. Reaction with water may dominate tropospheric removal of Criegee intermediates and determine their atmospheric concentration. An upper limit is obtained for the reaction of syn-CH3CHOO with water, and the rate constant for reaction of anti-CH3CHOO with water is measured as 1.0 × 10−14 ± 0.4 × 10−14 centimeter3 second−1.
344 citations
TL;DR: In this paper, high-level crystalline ZnO nanoparticles (NPs) were synthesized with zinc acetate as precursor and oxalic acid at 80°C through the simple solution phase approach.
285 citations
TL;DR: The results showed that investigated fluoroquinolones degrade very quickly and photodegrades followed pseudo first order kinetics, and the slowest photodegradation rate was observed in river water for all three fluoroquolones.
268 citations
TL;DR: In this article, a facile solvothermal-calcining route for the large-scale synthesis of uniform β-Bi 2 O 3 nanospheres has been demonstrated, and the morphology, structure, and photoabsorption of bismuth nanosphere were characterized, and effects of the preparation conditions on the structural properties of products were analyzed.
Abstract: A facile solvothermal–calcining route for the large-scale synthesis of uniform β-Bi 2 O 3 nanospheres has been demonstrated. The morphology, structure, and photoabsorption of β-Bi 2 O 3 were characterized, and the effects of the preparation conditions on the structural properties of products were analyzed. The results show that monodisperse bismuth nanospheres are formed through the solvothermal reaction where the d -fructose acting as the dominant reductant, and subsequently converted to β-Bi 2 O 3 nanospheres after the calcination in air. It is shown that the composition and structure of the products are greatly affected by the amount of d -fructose, the solvothermal and calcination temperature. The formation mechanism of β-Bi 2 O 3 nanospheres is assumed to undergo the “in situ reduction” of Bi(III)–ethylene glycol complex spheres which serve as self-sacrificing templates, followed by the “in situ oxidation” of bismuth nanospheres by oxygen during the calcination in air. The visible light-induced photocatalysis of the synthetic photocatalysts applied to the degradation of acetaminophen (APAP, a widely occurring human-derived pharmaceutical found in the environment) has been studied systematically. The photocatalytic reaction of APAP over the β-Bi 2 O 3 nanospheres follows pseudo first-order kinetics according to the Langmuir–Hinshelwood model, and exhibits a higher reaction rate constant, which is 2.5, 7, 8.1, and 79 times higher than that of commercial Bi 2 O 3 , synthetic α-Bi 2 O 3 , nitrogen doped TiO 2 (N-TiO 2 ), and Degussa P25, respectively. The superior photocatalytic activity is attributed to the narrower band gap energy (approximately 2.36 eV), nanostructure, good dispersion and high oxidation power of the β-Bi 2 O 3 nanospheres. Only one intermediate at m / z 110 can be detected by liquid chromatography/mass spectrometry (LC/MS) in the photodegradation process, while several low-molecular-weight organic acids were identified by ion chromatography (IC) analysis. By combining with the experimental determination of reactive oxygen species in the photocatalytic process and the theoretical calculation of frontier electron density of APAP, a simple, hole-predominated photodegradation pathway is proposed. In addition, the high mineralization efficiency indicates that the as-synthesized β-Bi 2 O 3 nanospheres photocatalyst can avoid secondary pollution during photocatalysis, which is important in practical applications.
236 citations
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07 Aug 2013TL;DR: In this article, the steady state oxide thickness, the time to achieve steady state, and the steady-state recession rate were derived from the paralinear kinetics model for SiC and Si3N4 in water vapor-containing environments.
Abstract: At high temperatures SiC and Si3N4 react with water vapor to form a silica scale. Silica scales also react with water vapor to form a volatile Si(OH)4 species. These simultaneous reactions, one forming silica and the other removing silica, are described by paralinear kinetics. A steady state, in which these reactions occur at the same rate, is eventually achieved, After steady state is achieved, the oxide found on the surface is a constant thickness and recession of the underlying material occurs at a linear rate. The steady state oxide thickness, the time to achieve steady state, and the steady state recession rate can all be described in terms of the rate constants for the oxidation and volatilization reactions. In addition, the oxide thickness, the time to achieve steady state, and the recession rate can also be determined from parameters that describe a water vapor-containing environment. Accordingly, maps have been developed to show these steady state conditions as a function of reaction rate constants, pressure, and gas velocity. These maps can be used to predict the behavior of silica formers in water-vapor containing environments such as combustion environments. Finally, these maps are used to explore the limits of the paralinear oxidation model for SiC and Si3N4
202 citations
TL;DR: A series of tricopper complexes that are capable of supporting facile catalytic oxidation of methane to methanol as well are shown, showing that the kinetics of the overall process is pseudo first-order with respect to the concentration of the fully reduced trICOpper complex.
Abstract: Methane oxidation is extremely difficult chemistry to perform in the laboratory. The C H bond in CH4 has the highest bond energy (104 kcalmol ) amongst organic substrates. In nature, the controlled oxidation of organic substrates is mediated by an important class of enzymes known as monooxygenases and dioxygenases, and the methane monooxygenases are unique in their capability to mediate the facile conversion of methane to methanol. With a turnover frequency approaching 1 s , the particulate methane monooxygenase (pMMO) is the most efficient methane oxidizer discovered to date. Given the current interest in developing a laboratory catalyst suitable for the conversion of methane to methanol on an industrial scale, there is strong impetus to understand how pMMO works and to develop functional biomimetics of this enzyme. pMMO is a complex membrane protein consisting of three subunits (PmoA, PmoB, and PmoC) and many copper cofactors. Inspired by the proposal that the catalytic site might be a tricopper cluster, we have recently developed a series of tricopper complexes that are capable of supporting facile catalytic oxidation of hydrocarbons. We show herein that these model tricopper complexes can mediate efficient catalytic oxidation of methane to methanol as well. The oxidation of CH4 mediated by the tricopper complex [CuCuCu(7-N-Etppz)] in acetonitrile (ACN), where 7-NEtppz corresponds to the ligand 3,3’-(1,4-diazepane-1,4diyl)bis[1-(4-ethylpiperazine-1-yl)propan-2-ol], is summarized in Figure 1A. A single turnover (turnover number; TON= 0.92) is obtained when this CuCuCu complex is activated by excess dioxygen in the presence of excess CH4 (Figure 1B). The reaction is complete within ten minutes, clearly indicating that the oxidation is very rapid. In accordance with the single turnover, the kinetics of the overall process is pseudo first-order with respect to the concentration of the fully reduced tricopper complex with a rate constant k1= 0.065 min 1 (Figure 1B, inset). If we assume that the kinetics is limited by the dioxygen activation of the CuCuCu cluster with the subsequent O-atom transfer to the substrate molecule being rapid, then k1=k2·[O2]0, and from the solubility of oxygen in ACN at 25 8C (8.1 mm), we obtain the bimolecular rate constant k2 of 1.33 10 m 1 s 1 for the dioxygen activation of the CuCuCu cluster. This second-order rate constant is similar to values that we have previously determined for the dioxygen activation of other model tricopper clusters at room temperature. The process can be made catalytic by adding the appropriate amounts of H2O2 to regenerate the spent catalyst after O-atom transfer from the activated tricopper complex to CH4. This multiple-turnover reaction is depicted in Figure 1C. In these experiments, the [CuCuCu(7-N-Etppz)] catalyst is activated by O2 as in the single-turnover experiment described earlier, but the spent catalyst is regenerated by twoelectron reduction by a molecule of H2O2 (Figure 2A). Because the effective turnover number (TON), or the total equivalent of products formed over the time course of the experiment, peaks at approximately six when the turnover is initiated with 20 equivalents of H2O2, it is evident that abortive cycling begins to kick in when the steady-state concentration of the H2O2 concentration exceeds approximately ten equivalents. When the steady-state H2O2 concentration is above this level, reductive abortion of the activated catalyst becomes competitive with the O-atom transfer to methane to produce methanol. In this case, the rate of O-atom transfer is limited by the relatively low solubility of CH4 in ACN under ambient conditions of temperature and pressure (Figure 2B). The [CuCuCu(7-N-Etppz)] complex also mediates the catalytic oxidation of normal C2–C6 alkanes (data not shown) [*] Prof. Dr. S. I. Chan, Y.-J. Lu, Dr. P. Nagababu, Dr. S. Maji, M.-C. Hung, P. D. Minh, J. C.-H. Lai, K. Y. Ng, Prof. Dr. S. S.-F. Yu Institute of Chemistry, Academia Sinica Nankang, Taipei 11529 (Taiwan) E-mail: sunneychan@yahoo.com sfyu@gate.sinica.edu.tw
160 citations
TL;DR: The results imply that graphene-based nanomaterials may effectively mediate the reductive transformation of nitroaromatic compounds and can contribute to the natural attenuation and remediation of these chemicals.
Abstract: The main objective of this study was to test the possibility that graphene-based nanomaterials can mediate environmentally relevant abiotic redox reactions of organic contaminants. We investigated the effect of graphene oxide (GO) on the reduction of nitrobenzene by Na2S in aqueous solutions. With the presence of GO (typically 5 mg/L), the observed pseudofirst-order rate constant (kobs) for the reduction of nitrobenzene was raised by nearly 2 orders of magnitude (from 7.83 × 10–5 h–1 to 7.77 × 10–3 h–1), strongly suggesting reaction mediation by GO. As reflected by the combined spectroscopic analyses, GO was reduced in the beginning of the reaction, and hence the reduced GO (RGO) mediated the reduction of nitrobenzene. It was proposed that the zigzag edges of RGO acted as the catalytic active sites, while the basal plane of RGO served as the conductor for the electron transfer during the catalytic process. Furthermore, changing the pH (5.9–9.1) and the presence of dissolved humic acid (10 mg TOC/L) were f...
154 citations
TL;DR: A systematic methodology is proposed that quickly identifies improved reaction Solvents by combining quantum mechanical computations of the reaction rate constant in a few solvents with a computer-aided molecular design (CAMD) procedure, and allows the identification of a high-performance solvent within a very large set of possible molecules.
Abstract: Solvents can significantly alter the rates and selectivity of liquid-phase organic reactions, often hindering the development of new synthetic routes or, if chosen wisely, facilitating routes by improving rates and selectivities. To address this challenge, a systematic methodology is proposed that quickly identifies improved reaction solvents by combining quantum mechanical computations of the reaction rate constant in a few solvents with a computer-aided molecular design (CAMD) procedure. The approach allows the identification of a high-performance solvent within a very large set of possible molecules. The validity of our CAMD approach is demonstrated through application to a classical nucleophilic substitution reaction for the study of solvent effects, the Menschutkin reaction. The results were validated successfully by in situ kinetic experiments. A space of 1,341 solvents was explored in silico, but required quantum-mechanical calculations of the rate constant in only nine solvents, and uncovered a solvent that increases the rate constant by 40%.
146 citations
TL;DR: Prx2 is more susceptible than Prx3 to hyperoxidation due to slower disulfide formation, while the sulfenic acid forms of Prx2 and Pr3 are ∼1000-fold less reactive with H2O2 than their active site thiols, they react several orders of magnitude faster than most reduced thiol proteins.
140 citations
TL;DR: A plausible reaction sequence for omeprazole mineralization involving all intermediates detected is proposed and it is proposed that greater drug content also enhanced the degradation rate with higher mineralization degree and current efficiency.
TL;DR: Kinetics studies with structurally varied aldehydes and ketones in aqueous buffer at pH 7.4 reveal that carbonyl compounds with neighboring acid/base groups form hydrazones at accelerated rates.
Abstract: Kinetics studies with structurally varied aldehydes and ketones in aqueous buffer at pH 7.4 reveal that carbonyl compounds with neighboring acid/base groups form hydrazones at accelerated rates. Similarly, tests of a hydrazine with a neighboring carboxylic acid group show that it also reacts at an accelerated rate. Rate constants for the fastest carbonyl/hydrazine combinations are 2-20 M(-1) s(-1), which is faster than recent strain-promoted cycloaddition reactions.
TL;DR: In this paper, a systematic study of the adsorption process was performed by varying pH, ionic strength, and temperature, and the experimental results showed that graphene is an excellent nitrate (NO 3 − ) adsorbent with a capacity of up to 89.97% at an initial NO 3 − concentration of 500 mg/L and temperature of 303 K.
Abstract: Graphene was prepared by a liquid phase exfoliation and was characterized by Raman spectroscopy, Fourier transform infrared spectroscopy, powder X-ray diffraction, scanning electron microscopy and zeta potential measurements. A systematic study of the adsorption process was performed by varying pH, ionic strength, and temperature. The experimental results showed that graphene is an excellent nitrate (NO 3 − ) adsorbent with an adsorption capacity of up to 89.97 mg/g at an initial NO 3 − concentration of 500 mg/L and temperature of 303 K. The adsorption kinetics was modeled by first- and second-order rate models. The rate constants for all these kinetic models were calculated, and the results indicate that the second order kinetics model was well suitable to model the kinetic adsorption of NO 3 − . The Langmuir and Freundlich models were used to describe the equilibrium isotherms and the isotherm constants were determined. Equilibrium data were well described by the typical Langmuir adsorption isotherm. Thermodynamic studies revealed that the adsorption reaction was spontaneous and was an endothermic process.
TL;DR: The experimental observation of traveling concentration waves and spirals in a chemical reaction network built from the bottom up, and this is the first time that predator-prey waves have been observed in the laboratory.
Abstract: We report the experimental observation of traveling concentration waves and spirals in a chemical reaction network built from the bottom up. The mechanism of the network is an oscillator of the predator–prey type, and this is the first time that predator–prey waves have been observed in the laboratory. The molecular encoding of the nonequilibrium behavior relies on small DNA oligonucleotides that enforce the network connectivity and three purified enzymes that control the reactivity. Wave velocities in the range 80–400 μm min–1 were measured. A reaction–diffusion model in quantitative agreement with the experiments is proposed. Three fundamental parameters are easy to tune in nucleic acid reaction networks: the topology of the network, the rate constants of the individual reactions, and the diffusion coefficients of the individual species. For this reason, we expect such networks to bring unprecedented opportunities for assaying the principles of spatiotemporal order formation in chemistry.
TL;DR: In this article, an interesterification reaction of waste cooking oil with methyl acetate using potassium methoxide as a catalyst has been carried out using ultrasonic horn (frequency of irradiation of 22-kHz and rated power of 750-W).
TL;DR: It was established that the adsorption process obeyed the pseudo-second-order kinetic model and the activation parameters were determined, namely the activation energy, the change of entropy, and Gibbs free energy for the formation of activated complex from the reagents.
TL;DR: The photophysics of 1,3-diphenylisobenzofuran (1) dimers covalently coupled in various ways are examined, accompanied with density functional theory (DFT) and time-dependent DFT (TD-DFT), to identify optimal conditions for singlet fission.
Abstract: In order to identify optimal conditions for singlet fission, we are examining the photophysics of 1,3-diphenylisobenzofuran (1) dimers covalently coupled in various ways. In the two dimers studied presently, the coupling is weak. The subunits are linked via the para position of one of the phenyl substituents, in one case (2) through a CH2 linker and in the other (3) directly, but with methyl substituents in ortho positions forcing a nearly perpendicular twist between the two joint phenyl rings. The measurements are accompanied with density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations. Although in neat solid state, 1 undergoes singlet fission with a rate constant higher than 10(11) s(-1); in nonpolar solutions of 2 and 3, the triplet formation rate constant is less than 10(6) s(-1) and fluorescence is the only significant event following electronic excitation. In polar solvents, fluorescence is weaker because the initial excited singlet state S1 equilibrates by sub-nanosecond charge transfer with a nonemissive dipolar species in which a radical cation of 1 is attached to a radical anion of 1. Most of this charge transfer species decays to S0, and some is converted into triplet T1 with a rate constant near 10(8) s(-1). Experimental uncertainties prevent an accurate determination of the number of T1 excitations that result when a single S1 excitation changes into triplet excitation. It would be one if the charge-transfer species undergoes ordinary intersystem crossing and two if it undergoes the second step of two-step singlet fission. The triplet yield maximizes below room temperature to a value of roughly 9% for 3 and 4% for 2. Above ∼360 K, some of the S1 molecules of 3 are converted into an isomeric charge-transfer species with a shorter lifetime, possibly with a twisted intramolecular charge transfer (TICT) structure. This is not observed in 2.
TL;DR: In this article, the performance of a redox flow battery based on chlorocuprates dissolved in an ionic liquid analogue was reported at 50°C and the kinetics of the positive electrode reaction at a graphite electrode were favorable with a heterogeneous rate constant, k 0, of 9.5 × 10 −4 ǫ s −1. Coulombic efficiency was typically 94% and independent of current density.
TL;DR: This study investigated the use of ultrasonication and high-pressure homogenization (HPH) as cell disruption methods for two microalgal species, Tetraselmis suecica (TS) and Chlorococcum sp.
TL;DR: The sink for aqueous OH can be estimated as the concentration of dissolved organic carbon multiplied by a general scavenging rate constant, a simple process that should significantly improve estimates of OH concentrations in atmospheric drops and aqueously particles.
Abstract: Hydroxyl radical (OH) is an important oxidant in atmospheric aqueous phases such as cloud and fog drops and water-containing aerosol particles. We find that numerical models nearly always overestimate aqueous hydroxyl radical concentrations because they overpredict its rate of formation and, more significantly, underpredict its sinks. To address this latter point, we examined OH sinks in atmospheric drops and aqueous particles using both new samples and an analysis of published data. Although the molecular composition of organic carbon, the dominant sink of OH, is extremely complex and poorly constrained, this sink behaves very similarly in different atmospheric waters and even in surface waters. Thus, the sink for aqueous OH can be estimated as the concentration of dissolved organic carbon multiplied by a general scavenging rate constant [kC,OH = (3.8 ± 1.9) × 10(8) L (mol C)(-1) s(-1)], a simple process that should significantly improve estimates of OH concentrations in atmospheric drops and aqueous particles.
TL;DR: In this article, the reactions of H2O2 with Fe2O3, CuO, HfO2, CeO2 and Gd 2O3 in aqueous solution were investigated.
Abstract: We have investigated the reactions of H2O2 with Fe2O3, CuO, HfO2, CeO2 and Gd 2O3 in aqueous solution. The reactions rate constants at room temperature were determined. From the temperature depende ...
TL;DR: Results indicate that a low reactivity of chlorine with CBZ could occur under the chlorination steps used during water treatment, and proposed monohydroxylated, epoxide, diols or chlorinated alcohol derivatives of CBZ for the chemical structures of these degradation products.
TL;DR: A series of novel catalyst complexes for the selective catalytic reduction of NOx to NH3 were prepared by doping CeO2-WO3/TiO2 with different loadings of SiO2.
Abstract: A series of novel catalyst complexes for the selective catalytic reduction of NOx to NH3 were prepared by doping CeO2–WO3/TiO2 with different loadings of SiO2. The complexes were synthesized by impregnating P25 with colloidal silica to form a complex support. The NOx conversion values and the calculated reactive rate constants confirm that the presence of SiO2 increased the reaction activity at low temperatures. This increase in activity may be directly correlated to the increase in the presence of unstable Bronsted acid sites as well as active nitrite, monodentate nitrates and adsorbed NO2, as opposed to an increase in the BET surface area and a change in the redox properties. Furthermore, the surface bridging and bidentate nitrate species that originated from the adsorption of NOx were quite stable and inactive below 300 °C. Finally, both Ti(1)Si(0) and Ti(3)Si(1) catalysts were employed to study the reaction mechanism by in situ IR spectroscopy at 200 °C. The two catalysts exhibited similar reaction mechanisms, wherein the Lewis and Bronsted acid sites reacted with active nitrite, monodentate nitrates and adsorbed NO2 species.
TL;DR: In this paper, a low cost activated carbon was synthesized from coconut coir and was applied for the removal of malachite green (MG) from its aqueous solutions.
TL;DR: In this paper, the adsorption of dye Bismark Brown R has been investigated at 30, 40 and 50°C temperatures and the experimental data has been applied to the various isotherms and their constant parameters have been determined.
TL;DR: In this article, the authors investigated the catalytic performance of polyoxometalate-based ionic liquids (SPILs) for the desulfurization of DBT in the model oil using H 2 O 2 as the oxidant.
TL;DR: Although IS did not appear to impact energy transfer pathways directly, the higher (3)NOM* steady-state concentrations promote energy transfer interactions, and the inhibition of electron transfer pathways should be considered when determining the fate of organic pollutants in estuarine and marine environments.
Abstract: Triplet state excited natural organic matter chromophores (3NOM*) are important reactive intermediates in indirect photochemical processes, yet the impact of salt concentrations relevant to estuarine and marine environments on 3NOM* is poorly understood. The formation rates, pseudo-first-order loss rate constants, and steady-state concentration of 3NOM* were monitored using the sorbate probe method in synthetic matrices with increasing ionic strength (IS) to seawater values using seawater halides or other salts. The steady-state concentration of 3NOM* approximately doubled at seawater IS, regardless of the salt used, due to a decrease in the 3NOM* decay rate constant. The electron transfer-mediated degradation of 2,4,6-trimethylphenol (TMP) by 3NOM* was significantly slowed at higher IS. A model is proposed wherein high IS slows intra-organic matter electron transfer pathways, an important 3NOM* loss pathway, leading to longer 3NOM* lifetimes. Although IS did not appear to impact energy transfer pathways ...
TL;DR: Rate constants of activation (kact) for the reactions of tertiary alkyl halides with the ATRP catalyst CuIBr/1,1,4,7,10,10-hexamethyltriethylenetetramine (HMTETA) have been determined in 14 different solvents and the effect of increasing amounts of monomer in a solvent on the activation rate has been analyzed.
Abstract: Rate constants of activation (kact) for the reactions of tertiary alkyl halides with the ATRP catalyst CuIBr/1,1,4,7,10,10-hexamethyltriethylenetetramine (HMTETA) have been determined in 14 different solvents. The measurements have been performed at 25 °C by spectrophotometrically following the time-dependent absorbances of the CuII species. A large excess of 2,2,6,6-tetramethylpiperidinyl-1-oxyl (TEMPO), which quantitatively trapped the alkyl radicals, ensured the irreversible generation of CuII. The rate constant for the least active solvent butanone is 30 times smaller than that of the most active solvent DMSO. In addition, the effect of increasing amounts of monomer in a solvent on the activation rate has been analyzed. A linear correlation of activation rate constants with previously determined equilibrium constants (KATRP) provides a Leffler–Hammond coefficient of 0.45. However, the activation rate constants do not correlate with dielectric constants and Dimroth’s and Reichardt’s ET(30) values. Appl...
TL;DR: Agreement between half-cell reduction potentials of different redox couples provides confirmation of the veracity of the proposed model describing the interactions of copper and quinone species in circumneutral pH saline solutions.
Abstract: A detailed kinetic model has been developed to describe the oxidation of Cu(I) by O2 and the reduction of Cu(II) by 1,4-hydroquinone (H2Q) in the presence of O2 in 0.7 M NaCl solution over a pH range of 6.5–8.0. The reaction between Cu(I) and O2 is shown to be the most important pathway in the overall oxidation of Cu(I), with the rate constant for this oxidation process increasing with an increasing pH. In 0.7 M NaCl solutions, Cu(II) is capable of catalyzing the oxidation of H2Q in the presence of O2 with the monoanion, HQ–, the kinetically active hydroquinone form, reducing Cu(II) with an intrinsic rate constant of (5.0 ± 0.4) × 107 M–1 s–1. Acting as a chain-propagating species, the deprotonated semiquinone radical (SQ• –) generated from both the one-electron oxidation of H2Q and the one-electron reduction of 1,4-benzoquinone (BQ) also reacts rapidly with Cu(II) and Cu(I), with the same rate constant of (2.0 ± 0.5) × 107 M–1 s–1. In addition to its role in reformation of Cu(II) via continuous oxidation...
TL;DR: In this study, quantitative structure activity relationships (QSAR) models for O(3) and AOP processes were developed, and rate constants, k(OH) and [Formula: see text] , were predicted based on target compound properties.