Progress in Reaction Kinetics and Mechanism (PROG REACT KINET MEC)

Journal description

Now in its 29th Volume, Progress in Reaction Kinetics and Mechanisms is published four times a year. It presents in-depth reviews of topics of current interest. It brings together work from many sources and thus provides a handy source of reference.

Current impact factor: 0.35

Impact Factor Rankings

2016 Impact Factor Available summer 2017
2014 / 2015 Impact Factor 0.354
2013 Impact Factor 0.351
2012 Impact Factor 0.373
2011 Impact Factor 0.761
2010 Impact Factor 0.45
2009 Impact Factor 0.821
2008 Impact Factor 0.44
2007 Impact Factor 0.375
2006 Impact Factor 0.25
2005 Impact Factor 0.714
2004 Impact Factor 1.15
2003 Impact Factor 0.773
2002 Impact Factor 1.737

Impact factor over time

Impact factor
Year

Additional details

5-year impact 0.54
Cited half-life >10.0
Immediacy index 0.03
Eigenfactor 0.00
Article influence 0.08
Website Progress in Reaction Kinetics and Mechanism website
ISSN 1468-6783
OCLC 42052171
Material type Periodical, Internet resource
Document type Journal / Magazine / Newspaper, Internet Resource

Publications in this journal

  • [Show abstract] [Hide abstract]
    ABSTRACT: Dendritic hindered phenols were synthesised using 3-(3,5-di-tert-butyl-4-hydroxy-phenyl)-propionic acid and dendritic poly(amido-amine) (PAMAM) as materials. The structures of the dendritic hindered phenols were characterised by infrared spectroscopy (FTIR), 1H-nuclear magnetic resonance spectroscopy (1H NMR) and liquid chromatography–mass spectrometry (LC-MS). The scavenging capacity and kinetics of the dendritic hindered phenols were investigated using the 1,1-diphenyl-2-picrylhydrazyl (DPPH) assay. These dendritic hindered phenols have excellent scavenging capacity, being superior to antioxidants 1010 and 1098 with the same number of phenol hydroxyl groups. The scavenging capacity of the first-generation dendritic hindered phenol (1.0G dendritic phenol) was superior to that of the second-generation dendritic hindered phenol (2.0G dendritic phenol). The kinetic behaviour of the hindered phenols in scavenging the DPPH radical was a first-order reaction. The scavenging rate constants (k 1) of the dendritic phenols with DPPH radical were higher than that of antioxidants 1010 and 1098, while the k 1 value of 1.0 G dendritic phenol was superior to that of 2.0 G dendritic phenol under the same test conditions. The scavenging activation energy (E a) of 1.0 dendritic phenol with four phenolic groups and two tertiary amine groups was the lowest, while that of antioxidant 1010 with a higher molecular weight and four phenolic groups was the greatest.
    No preview · Article · Jul 2015 · Progress in Reaction Kinetics and Mechanism
  • [Show abstract] [Hide abstract]
    ABSTRACT: The product selectivity of the Diels–Alder reaction between cyclopentadiene and methyl acrylate has been studied through a solvent effect analysis by implicit and explicit solvent models. Two paths for this reaction have been proposed and thermodynamic and kinetic parameters for each path were calculated by the B3LYP functional with 6-311++G(d,p) basis set at 298.15 K. In the explicit solvent model, hydrogen bonds were investigated by the QM/MM method. According to the results, the proportion of the exo product in the gas phase is more than for the endo one, which is in contrast to the solvent phase. HOMO–LUMO analyses in the gas phase and different solvents have been done and solvent effects on the energies of the HOMO–LUMO orbitals were investigated. According to the results, the band gap of the TSs was increased in the presence of the solvents. Finally, natural population analysis has been performed to calculate the electronic charges of some atoms that are involved in the centre of the reaction. The data obtained showed that different solvents, including polar and nonpolar solvents, have different effects on the electronic charges of the atoms. Topological analysis of the structures during the reaction by the quantum theory of atoms in molecules (QTAIM) method in the gas phase and different solvents confirmed a cyclic structure for the transition state.
    No preview · Article · Jul 2015 · Progress in Reaction Kinetics and Mechanism
  • [Show abstract] [Hide abstract]
    ABSTRACT: We present the kinetics and mechanism of the reaction of O (3P) with CH3NH2. Geometries of all the stationary points involved in the reaction have been investigated at the B3LYP/6-311+G (d, p) level. We report the potential energy surface for all of the possible pathways by the Gaussian-2 G3B3 method. This is the first time one has gained a conclusive insight into the detailed mechanism and kinetics for this reaction. Using the Rice–Ramsperger–Kassel–Marcus (RRKM) theory, we have computed the rate constants for channels leading to several products over the temperature range 298–440 K. The main reaction channel is found to be addition of an oxygen atom to CH3NH2 followed by migration of an H atom from N to O atoms and loss of H2O, which agrees with experimental results (Slagle, Dudich, and Gutman (1979) J.Phys.Chem., 83). As experimental data are available for this reaction, we are able to conclude that our thermal rate constants are in agreement over a wide range of temperatures.
    No preview · Article · Jul 2015 · Progress in Reaction Kinetics and Mechanism
  • [Show abstract] [Hide abstract]
    ABSTRACT: Investigations have been carried out on the application of the Fuzzy Logic model to the "direct reduction" of molybdenum disulfide by hydrogen in the presence of lime, as an alternative method for producing molybdenum powder. The objective was to seek a predictor model via a well-defined relationship between the vital variables (bulk temperature, ratio of molar quantities of the solid reactants, pellet thickness, hydrogen concentration in the gaseous bulk, normalised weight loss of the pellet, sulfur fixation in the pellet, and time required for completion of reaction). Finally, the results predicted by the Fuzzy Logic model have been evaluated and validated using both a mathematical model and experimental data.
    No preview · Article · Jul 2015 · Progress in Reaction Kinetics and Mechanism
  • [Show abstract] [Hide abstract]
    ABSTRACT: C20 nanofullerene and its derivatives, as the smallest carbon cages, are amongthe most important compounds in the field of nanoscience. As a result, it is very important to find a procedure to functionalise these precious compounds to exploit their numerous benefits. So, in this study, the process was investigated of adding a functional group to one of the C20 fullerene derivatives, via its open [5,5] cycloaddition reaction with 4-pyridine nitrile oxide. This showed that the open [5,5] cycloaddition reaction between 4-pyridine nitrile oxide and C18NB fullerene takes place with sufficient speed that would need no catalyst. According to the calculations, a highly asynchronous concerted mechanism operates in this reaction. It seems that oxygen–boron interaction causes the mechanism to be asynchronous. All calculations were performed at the B3LYP/6-311G(d,p) level of theory.
    No preview · Article · Apr 2015 · Progress in Reaction Kinetics and Mechanism
  • [Show abstract] [Hide abstract]
    ABSTRACT: The kinetics and mechanism of the adsorption and dissociation of nitrogen monoxide (NO) into N2 and O2 molecules on a tungsten oxide nanocrystalline surface have been studied. Calculations were carried out using the framework of density functional theory (DFT) with the ONIOM method at the (B3LYP/LANL2DZ:UFF) level. In this study, four models of the dissociation have been proposed and investigated theoretically. Density of states (DOS) spectral analysis showed that the Fermi level is shifted to higher values and confirmed the effective interaction between the nanocrystal and adsorbate. The band gap is also reduced after adsorption. Quantum reactivity indices showed that the chemical hardness was reduced after adsorption, which corresponds to the reduction in band gap. The electronic chemical potential has been shifted to more positive values while the electrophilicity of the surface has been reduced, both after adsorption. These parameters predict that charge transfers to the surface. Considering the activation energy, the first and second proposed models provide the most probable route of NO decomposition. Finally, from a comparison between the decomposition and oxidation processes, it is confirmed that NO oxidation is preferred.
    No preview · Article · Apr 2015 · Progress in Reaction Kinetics and Mechanism
  • [Show abstract] [Hide abstract]
    ABSTRACT: The catalytic performance of SAPO-34 catalysts which were synthesised hydrothermally under different conditions was investigated in methanol-to-olefins reactions. The significance of template, silicon sources and crystallisation time on catalytic performance, and deactivation of SAPO-34 catalysts, were studied. High methanol conversion and yield of light olefins were obtained over the nano-sized catalyst synthesised with tetraethylammonium hydroxide as template source and tetraethyl orthosilicate as silica source with a crystallisation time of 24 h, owing to its higher crystallinity and smaller crystal size. The SAPO-34 catalysts with larger sizes of crystals deactivate rapidly, while smaller crystals retain their activity for a longer time.
    No preview · Article · Apr 2015 · Progress in Reaction Kinetics and Mechanism
  • [Show abstract] [Hide abstract]
    ABSTRACT: The inclusion complex formation of nereistoxin (NTX) with cucurbit[7] uril (CB[7]) in aqueous solution was investigated by competitive binding of palmatine (PAL) fluorescent probe. The CB[7]–PAL complex exhibited high fluorescence in aqueous solution, which was quenched in the presence of NTX. This is due to the extrusion of PAL from the CB[7] cavity into the aqueous phase by NTX. The association constants (K) for the inclusion complexation of the host and guest were determined. The encapsulation of NTX and PAL as they compete for occupancy of the CB[7] cavity was studied using absorption, spectrofluorimetry, 1H NMR, and molecular modelling calculations.
    No preview · Article · Apr 2015 · Progress in Reaction Kinetics and Mechanism
  • [Show abstract] [Hide abstract]
    ABSTRACT: Pt/Al2O3 catalyst was prepared from a cetyltrimethylammonium bromide (CTAB)/n-butanol/cyclohexane water-in-oil (w/o) microemulsion. The preparation conditions of Pt/Al2O3 catalyst were investigated and are discussed in detail. Transmission electron microscopy (TEM) showed uniform Pt nanoparticles (about 3 nm) with high dispersion in the catalyst. The Pt/Al2O3 catalyst exhibited excellent catalytic properties in the liquid-phase hydrogenation of o-chloronitrobenzene (o-CNB) to o-chloroaniline (o-CAN). After 60-min reaction at normal pressure and 303 K, the conversion of o-CNB was 81.1% and the selectivity to o-CAN was 96.2%. Kinetic study showed o-CNB hydrogenation to be a first-order reaction with an apparent activation energy of 56.37 kJ mol-1. The microemulsion-derived catalyst shows a higher catalytic activity than an impregnation-drived catalyst.
    No preview · Article · Apr 2015 · Progress in Reaction Kinetics and Mechanism
  • [Show abstract] [Hide abstract]
    ABSTRACT: The electrochemical oxidation of quinizarine has been studied in the presence of methyl cyanoacetate and ethyl cyanoacetate acting as a nucleophile in acetate buffer solution mixed with ethanol (30/70 v/v) using cyclic voltammetry and controlled-potential coulometry methods. The results revealed that anthracene- 1,4,9,10-tetraone derived from the electro-oxidation of quinizarin participates in 1,4-Michael addition reactions with cyanoacetate derivatives. The adducts formed convert to the corresponding benzofuran derivatives through an ECC (Electrochemical, Chemical, Chemical reaction) mechanism. In the present study, benzofuran derivatives were synthesised in good yields using controlled potential electro-oxidation at three graphite electrode in an undivided cell under mild conditions.
    No preview · Article · Mar 2015 · Progress in Reaction Kinetics and Mechanism
  • [Show abstract] [Hide abstract]
    ABSTRACT: The kinetics of the entire process of the SAPO-34 catalyst for the transformation of methanol into olefins in the 400–450 °C range has been established by using the experimental data obtained in an isothermal fixed bed reactor. The model considers the activity change of SAPO-34 zeolite with time on stream. The activity of the catalyst consists of two parts: the stabilisation activity (while methanol is fully transformed) and the deactivation activity (while methanol is not all transformed). According to the activity of the catalyst, this study measured the evolution of each olefin with time on stream respectively.
    No preview · Article · Jan 2015 · Progress in Reaction Kinetics and Mechanism
  • [Show abstract] [Hide abstract]
    ABSTRACT: Electrochemical oxidation of catechol has been studied in the presence of thioacetamide (TAM) in a phosphate buffer solution (0.2 mol L-1, pH=6.0) at the surface of glassy carbon electrode by means of cyclic voltammetry. After the cyclic voltammetric investigation of the reaction mechanism of TAM with catechol, TAM has been determinated by means of the differential pulse voltammetry technique. The results showed that the cathodic peak current of catechol reduced in the presence of various concentrations of TAM and that catechol can participate in a 1,4-Michael addition reaction with TAM under an EC mechanism. The decreasing of the cathodic current of catechol showed a linear relationship with the TAM concentration that can be used for the determination of TAM with a detection limit less than 3 μmol L-1.
    No preview · Article · Jan 2015 · Progress in Reaction Kinetics and Mechanism
  • [Show abstract] [Hide abstract]
    ABSTRACT: The adsorption kinetics of adenine and adenosine on a ligand-exchange matrix, carboxymethyl diaminoethane poly(vinyl chloride) in cobalt form (cobalt-CMEDA-PVC), have been studied in a fixed-bed column system. The initial ligand concentrations ranged between 1.25x10-5 and 2.0x10-4 mol L-1. The kinetic studies were carried out spectrophotometrically, in order to determine the rate-controlling step of the adsorption. The kinetic data of the single-component systems were acquired from the breakthrough curves of the ligands on the basis of the equivalent points method. In this study, the homogeneous diffusion model was adapted to a fixed-bed column system to describe the differentiation in the ligand concentration of the effluent, beginning from breakthrough point as a function of time. The results obtained for the adsorption kinetics indicated that the diffusion step plays a significant role in the adsorption kinetics of the ligands, due to the fact that the adsorption performance was strongly affected by the initial concentration of ligands.
    No preview · Article · Jan 2015 · Progress in Reaction Kinetics and Mechanism