We report a new method to measure the kinetic rate constant of CO2 hydration using electrochemical oxidation carbon monoxide (CO oxidation) in isotope-labeled electrolyte. CO is often used as model reaction investigate surface metallic electrocatalysts, most notably stripping experiments. Using chip-based electrochemistry mass spectrometry with 18O-labeled electrolyte we show that: 1) For exper...

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...

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 ...

The present work investigates the photocatalytic degradation efficiency of biorecalcitrant macrolide antibiotics in a circulating tubular photoreactor. As target pollutants, spiramycin (SPM) and tylosin (TYL) were considered in this study. The photoreactor leads to the use of an immobilized titanium dioxide on non-woven paper under artificial UV-lamp irradiation. Maximum removal efficiency was ...

We present a detailed study of the catalytic activity of Au/Pd nanoalloys with Au : Pd molar ratio 75 : 25 synthesized using spherical polyelectrolyte brushes (SPB) as carrier system. The reduction of 4-nitrophenol (Nip) by sodium borohydride (BH4(-)) has been used as a model reaction. This reaction proceeds in two steps: 4-nitrophenol is first reduced to 4-hydroxylaminophenol which in a second...

Photocatalytic degradation of organic components in water by means of TiO2 nanosuspensions under ultraviolet (UV) irradiation represents an efficient method for water purification. In the present paper, a modeling approach is proposed to simulate the involved kinetic processes based on the Langmuir– Hinshelwood mechanism. The extended model also includes the formation of intermediate organic co...

Over the years, hydrotreating process has been considerably improved in order to facilitate production of environmentally friendly diesel fuels by reducing sulphur and aromatics concentrations, as mandated contemporary emissions regulations. In this study, different kinetic models for hydrodearomatisation reaction influence rate on performance industrial trickle bed reactor gas oil light cycle ...