palladium (ii) coordination complexes catalyze the reaction of alcohols with ketones to yield ethers. during the catalytic cycle, the alcohol adds selectively to the β-carbon (anti-markovnikov). in this work, mechanism and kinetics for the reaction of methanol with methyl vinyl ketone (mvk), being catalyzed by pd, has been theoretically investigated in detail. using quantum mechanical approach,...

A new model based on a combination of the polymeric multigrain and multilayer models has been developed to predict the polymerization rate, particle growth, morphology, effective parameters on broadening of the molecular weight distribution, number and weight average of the molecular weight, isotacticity index and bulk density of polymer. Mathematical correlations and the kinetics used in t...

Abstract: In this research work, crystallization kinetics of Fe55Cr18Mo7B16C4 alloy was evaluated by X-ray diffraction, TEM observations and differential scanning calorimetric tests. In practice, crystallization and growth mechanisms were investigated using DSC tests in four different heating rates. Results showed that a two -step crystallization process occurred in the alloy in which - Fe phas...

The mineralisation kinetics of petroleum refinery effluent (PRE) by Fenton oxidation were evaluated. Within the ambit of the experimental data generated, first-order kinetic model (FKM), generalised lumped kinetic model (GLKM), and generalized kinetic model (GKM) were tested. The obtained apparent kinetic rate constants for the initial oxidation step (k'2), their final oxidation step (k'1), and...

The effect of mechanical activation on structural changes and kinetics of carbothermic reduction of hematite with graphite was studied in this research. Hematite powder mixture with graphite (with stoichiometry ratio C/O=1) was milled for the time periods of zero to 50 hours, and the structural changes were studied using X ray diffraction (XRD). The effect of mechanical activation on the kineti...

Using an assay specific for chain elongation of E. coli RNA polymerase the kinetics of this propagation reaction have been studied. The kinetic behaviour is consistent woth the mathematical model formulated for this multisubstrate enzyme. The effect of increasing salt concentration on the kinetics of the reaction indicated that DNA unwinding is probably a necessary step in the propagation step,...

We study kinetics of a step propagating along a twin boundary in a cubic lattice undergoing an antiplane shear deformation. To model twinning, we consider a piecewise quadratic double-well interaction potential with respect to one component of the shear strain and harmonic interaction with respect to another. We construct semi-analytical traveling wave solutions that correspond to a steady step...