Density functional theory (DFT) with B3LYP level and 6-311G[Formula: see text] basis sets for light atoms like N and O and SDD basis sets for heavy atoms like Sn is used to examine the interaction of tin dioxide nanocrystals with nitrogen dioxide as a function of temperature from 273[Formula: see text]K to 373[Formula: see text]K through a Gaussian 09W software program. Gibbs free energy, enthalpy, and entropy of activation and reaction are calculated. The situation of transition of SnO₂ clusters toward nitrogen dioxide is investigated. According to the findings, the activation energy of SnO₂ clusters with nitrogen dioxide increases as the temperature rises (in negative value). Gauss view 0

The reactions of ozone with 2,3-Dimethyl-2-Butene (CH3)2C=C(CH3)2 and 1,3-Butadiene CH2=CHCH=CH2 have been investigated under atmospheric conditions at 298±3K in air using both relative and absolute rate techniques, and the measured rate coefficients are found to be in good agreement in both techniques used. The obtained results show the addition of ozone to the double bond in these compounds and how it acts as function of the methyl group substituent situated on the double bond. The yields of all the main products have been determined using FTIR and GC-FID and the product studies of these reactions establish a very good idea for the decomposition pathways for the primary formed compounds (ozonides) and give a good information for the effe

This work was conducted to study the recovery of catalyst and desirable components from tar formed in phenol production unit and more particularly relates to such a method whereby better recovery of copper salts, phenol, benzoic acid and benzoate salts from tar by aqueous acid solution was accomplished.
The effect of solvent type, solvent concentration (5, 10, 15, 20, 25 and 30 wt%), agitation speed (100, 200, 300 and 400 rpm), agitation time (5, 10, 15, 20 and 25 min), temperature (90, 100, 110, 120, 130 and 140 oC) , phase ratio (1/1, 2/1, 3/1, 4/1 and 5/1) and number of extraction (1, 2, 3, 4, and 5) were examined in order to increase the catalyst and desirable components extraction.
Four types of solvent were used; hydrochloric

A series of adsorption laboratory experiments were conducted to study the sorption efficiency of bentonite in removal Cd from aqueous solutions. The bentonite was found to be a good receptive to the adsorption of Cd under specific laboratory conditions. The sorption capacity for Cd onto bentonite was investigated through the variation in pH and initial Cd2+ concentration. The sorption efficiency onto bentonite was examined as a function of pH, initial ion concentration, equilibrium reaction time and solid mass/ liquid volume ratio. The maximum sorption (%) of Cd from solutions were determined when solid to liquid ratio is 2 gm of bentonite versus 50 ml solution, the equilibrium reaction time is 50 minute at pH ranges from 5-7. The sorpti

Because of the contaminants represented by heavy metals in the aquatic
environment have an adverse effects need to be addressed, therefore, a laboratory
simulation was conducted on Cd using kaolinite that collected from Ga’ara Formation
as considered as a natural sorbent material that can be used to remove heavy metals
from aqueous environments. Mineralogical study was conducted on kaolinite using
X-Ray diffraction (XRD), Scanning Electron Microscope (ESM) and Energy-
Dispersive X-ray Spectroscopy (EDS) for the purpose of investigating the microtexture.
It was found that kaolinite has pure phase of very fine grains with a very little
quantity of quartz and has a number of active sites for adsorption. Chemical an

Trickle irrigation is one of the most conservative irrigation techniques since it implies supplying water directly on the soil through emitters. Emitters dissipate energy of water at the end of the trickle irrigation system and provide water at emission points. The area wetted by an emitter depends upon the discharge of emitter, soil texture, initial soil water content, and soil permeability. The objectives of this research were to predict water distribution profiles through different soils for different conditions and quantify the distribution profiles in terms of main characteristics of soil and emitter. The wetting patterns were simulated at the end of each hour for a total time of application of 12 hrs, emitter disch