cелективність

DFT Study of Some Copper Complexes and Their Detection Limit

A theoretical investigation was probed to shed light on the correlation between low detection limit (LOD) in AdSV technique and metal trace complexes stability energy. The study was conducted by means of DFT calculations of copper traces complexation by using three different organic molecules as chelating agents, such as: morin, red pyrogallol and thymolphtalexone. The quantum chemistry calculations were carried out at the B3LYP/6-31G(d) level implemented in Gaussian 09 program package.

n-Hexane Isomerization Over Nickel-Containing Mordenite Zeolite

Nickel-containing mordenite samples were synthesized by impregnation from aqua's solution of nickel nitrate. Porous and catalytic characteristics of the catalysts were studied by means of low temperature nitrogen adsorption/desorption and micropulse n-hexane isomerisation. The maximum isomer yields are 10-12 wt % for 1-5 wt % Ni content at 523–573 K.

DFT Theoretical Study of Some Thiosemicarbazide Derivatives with Copper

A theoretical study of the detection limit concept of copper traces in aqueous solution by using two thiosemicarbazides derivatives as ligands: 4-ethyl-3-thiosemicarbazide and thiosemicarbazide has been thoroughly investigated. The study was carried out experimentally by adsorptive stripping voltammetry.

The Reaction of Oleic Acid with a Mixture of Ethanolamines

Regularities of the reaction of oleic acid with a mixture of ethanolamines have been investigated under non-stationary conditions in the presence of H-form of cation-exchange resin KU-2-8 as a catalyst. The effect of a ratio between reagents and the catalyst on the acid conversion, selectivity and products yield has been determined. N-acylation of mono- and diethanolamines by an oleic acid was found to be more intensive compared with esterification of hydroxy groups of ethanolamine.