A first principles analysis of C-H bond formation in ethylene hydrogenation

Article Abstract:

The Horiuti-Polanyi mechanism for ethylene hydrogenation over Pd(111) is examined suing first-principle density functional quantum chemical calculations. Cluster and periodic slab DFT-GGA calculations are carried out to determine the modes and energies of chemisorptions for a sequence of proposed intermediates, along with overall reaction energies and activation barriers for each of the speculated elementary steps.

Cyclic Crude and Intermediate Manufacturing, Ethylene, Usage, Density functionals, Density-functional theory, Hydrogenation

---

Dynamic determination of vapor/water interface adsorption for volatile hydrophobic organic compounds (VHOs) using axisymmetric drop shape analysis: Procedure and analysis of benzene adsorption

Article Abstract:

A rapid and accurate method is developed to characterize equilibrium aqueous solution surface tension variations due to adsorption of volatile hydrophobic organic compounds (VHOs) at the vapor/water interface. The procedure involves contacting an initially solute-free pendant water drop with an advecting air stream containing water vapor and slowly increasing VHOC vapor concentration at atmospheric pressure.

Basic Chemical Manufacturing, Industrial Organic Chemicals, Organic Chemicals, Petrochemical Manufacturing, Benzene, Analysis, Water, Organic compounds, Vapors, Vapours

---

Investigation of acid-base properties of catalysts obtained from layered double hydroxides

Article Abstract:

Layered double hydroxides (LDH) materials in the lamellar or mixed-oxide form, which can be obtained by controlled calcination, have shown very attractive properties as catalysts in a wide variety of base-catalyzed reactions. They have also been largely used as supports or precursors of supported metal catalysts exhibiting a basic character and a particular metal-support interaction.

All Other Miscellaneous Chemical Product and Preparation Manufacturing, Catalysts, Chemical preparations, not elsewhere classified, Acid-base chemistry, Hydroxides

Similar abstracts:

• Abstracts: The principles of alpha-helix formation: explaining complex kinetics with nucleation-elongation theory. The helix-coil kinetics of a heteropeptide
• Abstracts: First-principles molecular dynamics study of the rupture processes of a bulklike polyethylene knot. First-principles study of bond rupture of entangled polymer chains
• Abstracts: Probing the origins of spectroscopies responses to analyte-induced conformational changes in fluorescently-labeled Cod 111 parvalbumin
• Abstracts: Microstructure and dynamics of wormlike micellar solutions formed by mixing cationic and anionic surfactants. Polyelectrolyte titration: theory and experiment
• Abstracts: Reactivity of organic compounds inside micelles embedded in sol-gel glass. Kinetics of summarization of azobenzene inside C/TAB and SDS micelles

This website is not affiliated with document authors or copyright owners. This page is provided for informational purposes only. Unintentional errors are possible.