A theoretical study on corrosion inhibitors was done by quantum calculations includes semi-empirical PM3 and Density Functional Theory (DFT) methods based on B3LYP/6311++G (2d,2P). Benzimidazole derivative (oxo(4- ((phenylcarbamothioyl) carbamoyl)phenyl) ammonio) oxonium (4NBP) and thiourea derivative 2-((4- bromobenzyl)thio) -1H-benzo[d] imidazole (2SB) were used as corrosion inhibitors and an essential quantum chemical parameters correlated with inhibition efficiency, EHOMO (highest occupied molecular orbital energy) and ELUMO (lowest molecular orbital energy). Other parameters are also studied like energy gap [ΔE (HOMO-LUMO)], electron affinity (EA), hardness (Δ), dipole moment (μ), softness (S), ionization potential (IE), absolute electron negativity (χ), and global electrophilicity index (ω) respectively. Mulliken population was also essential to determine a local reactivity by indicating reactive centers and identifyinga potential nucleophilic and electrophilic attacks sites. The adsorption of compounds is also discussedwith the bonds length, the angles, and tetrahedral of molecules. The 2SB best from 4NBP as corrosion inhibitors according to theoretical and experimental proving.Predicated.
Abstract
The method binery logistic regression and linear discrimint function of the most important statistical methods used in the classification and prediction when the data of the kind of binery (0,1) you can not use the normal regression therefore resort to binary logistic regression and linear discriminant function in the case of two group in the case of a Multicollinearity problem between the data (the data containing high correlation) It became not possible to use binary logistic regression and linear discriminant function, to solve this problem, we resort to Partial least square regression.
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... Show MoreIn this research , Aprocess ( LICVD) was used for producing silicon nitride powders with chemical compositon Si3N4 ,by using TEA-Co2 Laser to induc reaction in the gas phase, NH3 was used as on additive to SiH4. Reactant gases that were vibrationaly heated by absorbing energy emitted from TEA-Co2 Laser decomposes throug coillsion assisted multiple photon dissociation causing Si3N4 powders. By the dependence of the LICVD process on varios parameters such as Laser intensity , total gas pressure, partial pressures of SiH4 and NH3 were investigated. Dissociation rate as a function of Laser intensity and pressure was investigated. The powders obtained exhibit various colors from brown which is rich in Si to white.This
... Show MoreA simple, precise and accurate spectrophotometric method has been developed for simultaneous estimation of sulfanilamide and furosemide in their mixture by using first and second order derivative method in the ultraviolet region. The method depends on first and second derivative spectrophotometry, with zero-crossing and peak to base line and peak area measurements. The first derivative amplitudes at 214, 238 and 266 nm were selected for the assay of sulfanilamide and 240, 260, 284, 314 and 352 nm for furosemide. Peak area at 201222, 222-251 and 251-281 nm selected for estimation of sulfanilamide and at 229-249, 249270, 270-294, 294-333 and 333-382 nm for furosemide. The second derivative amplitudes at 220, 252 and 274 nm for sulfanilamid
... Show MoreInformation about soil consolidation is essential in geotechnical design. Because of the time and expense involved in performing consolidation tests, equations are required to estimate compression index from soil index properties. Although many empirical equations concerning soil properties have been proposed, such equations may not be appropriate for local situations. The aim of this study is to investigate the consolidation and physical properties of the cohesive soil. Artificial Neural Network (ANN) has been adapted in this investigation to predict the compression index and compression ratio using basic index properties. One hundred and ninety five consolidation results for soils tested at different construction sites
... Show MoreThe present study aimed to try to find natural substances stimulate the production of bacteriocin, as well as "for detection of bacteriocin producing isolates. Two hundred and eighty ( 280) bacterial isolates, gram negative only, were collected from 760 different pathogenic samples, consist: (Urinary tract infection, septicemia, Vaginal inflammation and diarrhea). The isolated bacteria are: Escherichia coli, Klebsiella pneumonia Pseudomonas aeruginosa,, Salmonella typhi, Enterobacter cloacae, Acinetobacter baumannii, Serratia liquefaciens, Citrobacter freundii, Proteus mirabilis and Serrattia odorifera. Cup assay method was used to detect bacteriocin production. Loc
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