The activation of oxygen molecules is an important issue in the gold-catalyzed partial oxidation of alcohols in aqueous solution. The complexity of the solution arising from a large number of solvent molecules makes it difficult to study the reaction in the system. In this work, O2 activation on an Au catalyst is investigated using an effective approach to estimate the reaction barriers in the ...

We have studied the kinetics of trans to cis isomerization under the illumination of ultraviolet light, in the Langmuir monolayer of mesogenic azobenzene dimer, bis-[5-( 4' -n-dodecyloxy benzoyloxy)-2-( 4''-methylphenylazo)phenyl] adipate, at an air-water interface. We find that the trans to cis isomerization reaction of the molecules in the monolayer shows deviation from the first-order kineti...

The field of plasma etching is reviewed. Plasma etching, a revolutionary extension of the technique of physical sputtering, was introduced to integrated circuit manufacturing as early as the mid 1960s and more widely in the early 1970s, in an effort to reduce liquid waste disposal in manufacturing and achieve selectivities that were difficult to obtain with wet chemistry. Quickly, the ability t...

Abiotic reductive dechlorination of chlorinated ethylenes (tetrachloroethylene (PCE), trichloroethylene (TCE), cis-dichloroethylene (c-DCE), and vinylchloride (VC)) by iron-bearing phyllosilicates (biotite, vermiculite, and montmorillonite) was characterized to obtain better understanding of the behavior of these contaminants in systems undergoing remediation by natural attenuation and redox ma...

Endocrine disruptors in water are contaminants of emerging concern due to the potential risks they pose to the environment and to the aquatic ecosystems. In this study, a solar photocatalytic treatment process in a pilot-scale compound parabolic collector (CPC) was used to remove commercial estradiol formulations (17-β estradiol and nomegestrol acetate) from water. Photolysis alone degraded up ...

Hinshelwood & W illiamson 1934 The reaction between hydrogen and oxygen, p . 46. Kassel & Storch 1935 J. Amer. Chem. Soc. 57, 672. Kassel 1937 Chem. Rev. 21, 331. K istiakowsky 1930 J . Amer. Chem. Soc. 52 , 1868. Lewis & von Elbe 1942 J. Chem. Phys. 10, 366. Napravnik & Smith 1940 J. Amer. Chem. Soc. 62, 385. Pease 1930 J. Amer. Chem. Soc. 52 , 5106. Pease 1931 J. Amer. Chem. Soc. 53, 3188. Po...

Using density functional theory we investigate the electronic and atomic structure of fullerene-like boron nitride cage structures. The pentagonal ring leads to the formation of homonuclear bonds. The homonuclear bonds are also found in other BN structures having pentagon line defect. The calculated thermodynamics and vibrational spectra indicated that, among various stable configurations of BN...

The photocatalytic oxidation of acetone vapor on TiO2/ZrO2 thin films is presented in this study. Acetone conversion data collected using a non-circulating tubular reactor are analyzed using a general power law model and a Langmuir–Hinshelwood– Hougen–Watson (LHHW) model; the LHHW model provides a slightly better fit than the 1/2 order power law model. The effects of reaction temperature and re...

The diffusion of molecular hydrogen (H2) on a layer of graphene and in the interlayer space between the layers of graphite is studied using molecular dynamics computer simulations. The interatomic interactions were modeled by an Adaptive Intermolecular Reactive Empirical Bond Order (AIREBO) potential. Molecular statics calculations of H2 on graphene indicate binding energies ranging from 41 meV...

The vapor-phase selective oxidation of propylene (H2C CHCH3) to acrolein (H2C CHCHO) was investigated over supported V2O5/Nb2O5 catalysts. The catalysts were synthesized by incipient wetness impregnation of V-isopropoxide/isopropanol solutions and calcination at 450 8C. The catalytic active vanadia component was shown by in situ Raman spectroscopy to be 100% dispersed as surface VOx species on ...