highly crystalline and pure lithium metasilicate (li2sio3) and lithium disilicate (li2si2o5) nanomaterials were synthesized by hydrothermal method and characterized by pxrd technique. the changes in the morphology and particle size of the synthesized nanomaterials with reaction time were investigated using sem technique. the uv-vis and photoluminescence spectra of the compounds were studied. th...

The hydrogen abstraction reaction of OH radical with CH3CH2OCF2CHF2 (HFE-374pc2) is investigated theoretically by semi-classical transition state theory. The stationary points on the potential energy surface of the reaction are located by using KMLYP density functional method along with 6-311++G(d,p) basis set. Vibrational anharmonicity coefficients, ...

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,...

in this research oxidation kinetic panceuo.s (p.s) by s2o8-2 at the presence of agno3 ascatalyst was studied.the method was spectrophotometer following absorption spectrum (p.s) inwave length of 518 nm. after improving the condition such as ph, p.s concentration, k2s2o8concentration, ionic strength, temperature, rate constant, activation energy, constant frequency,order reaction and thermo dyna...

ABSTRACT In this work, the dry reforming of methane was studied using a corona and glow discharge plasma microreactors. A chemical kinetic model was developed to understand the reaction better. The modelization allowed prediction of the reactants conversion according to the energy transfer to the gas (P×τ). The β value is trait of the energy cost, whatever this value was leeser indicated ...

Reactions occurring at a carbon atom through the Walden inversion mechanism are one of the most important and useful classes of reactions in chemistry. Here we report an accurate theoretical study of the simplest reaction of that type: the H+CH4 substitution reaction and its isotope analogues. It is found that the reaction threshold versus collision energy is considerably higher than the barrie...

Highly crystalline and pure lithium metasilicate (Li2SiO3) and lithium disilicate (Li2Si2O5) nanomaterials were synthesized by hydrothermal method and characterized by PXRD technique. The changes in the morphology and particle size of the synthesized nanomaterials with reaction time were investigated using SEM technique. The UV-Vis and photoluminescence spectra of the compounds were studied. Th...