Preferred Language
Articles
/
ijs-10070
Quantum Mechanical Calculations for Some PINH Cs Symmetry Schiff Bases as Corrosion Inhibitors for Mild Steel

Density Functional Theory (DFT) at the B3LYP/6-311G basis set level was performed on six new substituted Schiff base derivatives of PINH [(phenylallylidene) isonicotinohydrazide], The calculated quantum chemical parameters correlated to the inhibition efficiency are EHOMO (highest occupied molecular orbital energy), ELUMO (lowest unoccupied molecular orbital energy), the energy gap [ΔE(HOMO-LUMO)], hardness (η), softness (S), dipole moment (μ), electron affinity (EA), ionization potential (IE), the absolute electronegativity (χ), Global electrophilicity index ( ) and the fraction of electron transferred (ΔN), all have discussed at their equilibrium geometry and their correct symmetry (Cs). Comparisons of the order of inhibition efficiency of the Schiff bases derivatives, and local reactivity were analyzed using Mulliken population analysis. The local reactivity has been studied through condensed softness indices in order to predict both the reactive centers and to know the possible sites of nucleophilic and electrophilic attacks. Also vibration frequencies and IR absorption intensities were carried out for the calculated Schiff bases molecules. Also some physical values were studied such as heat of formation and total energy.

View Publication Preview PDF
Quick Preview PDF
Publication Date
Thu Aug 20 2020
Journal Name
Al-mustansiriyah Journal Of Science
The Importance of 2-AminoThiazole Schiff Bases as Antimicrobial and Anticancer Agents

The pharmacophore 2-aminothiazole has an interesting role in pharmaceutical chemistry as this led to the synthesis of many types of compounds with diverse biological activity. Schiff base derivatives at the same time contribute to drug evolution importantly. In this review, the Schiff base derivatives of 2-aminothiazole formed and some of their metal complexes are being focused on, and the antimicrobial and anticancer activity of them is being illustrated.

Crossref (2)
Crossref
Publication Date
Sat Dec 31 2011
Journal Name
Al-khwarizmi Engineering Journal
Effect of Mixed Corrosion Inhibitors in Cooling Water System

The effect of mixed corrosion inhibitors in cooling system was evaluated by using carbon steel specimens and weight loss analysis. The carbon steel specimens immersed in mixture of sodium phosphate (Na2 HPO4) used as corrosion inhibitor and sodium glocunate (C6 H11 NaO7) as a scale dispersant at different concentrations (20,40, 60, 80 ppm) and at different temperature (25,50,75 and 100)ºC for (1-5) days. The corrosion inhibitors efficiency was calculated by using uninhibited and inhibited water to give 98.1%. The result of these investigations indicate that the corrosion rate decreases with the increase the corrosion inhibitors concentration at 80 ppm and at 100ºC for 5 days, (i.e,

... Show More
View Publication Preview PDF
Publication Date
Sun Sep 29 2019
Journal Name
Iraqi Journal Of Science
Enhancing of Corrosion Protection of Steel Rebar in Concrete Using TiO2 Nanoparticles as Additive

     Nanomaterials became targeted materials for many important applications due to its huge surface area and quantum confinement effects. In this work TiO2 nanoparticles (30nm) were used as additive to enhance the corrosion protection of steel rebar in artificial concrete solution (Ca(OH)2 (2g), KOH (22.44mg), NaOH (8mg) in 1L of distilled water) against saline environment (3.5%NaCl) at four temperatures; 20, 30, 40, and 50á´¼C. Three different concentrations of TiO2 NPs were used namely; 1, 3, and 5% by weight. The corrosion parameters and pitting probability were followed using Tafel and cyclic polarization plots respectively. Protection enhancement was recorded at all TiO2<

... Show More
Scopus (4)
Crossref (2)
Scopus Crossref
View Publication Preview PDF
Publication Date
Thu Apr 13 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Novel Schiff Bases Derived From Pyromellitic Dianhydride

   The new Schiff bases derived from pyromellitic dianhydride were   synthesized  by  several  steps  reaction . A symmetrical  diamic acide  [I ]a-c  were  synthesized  by  the  reaction  of  pyromellitic  dianhydride  with  some aromatic  amines  (containing  electron  withdrawing , repulling  groups ) in dry acetone.      In the second step the  diacids were converted  to  their corresponding  diimide [II ]a-c using acetic anhydride and sodium acetate system as a dehydrating agent,    via  the  intra molecular  cyclization  steps&nbs

... Show More
View Publication Preview PDF
Publication Date
Thu Dec 28 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Glutamic Acid as Corrosion Inhibitor for Aluminium in Acidic Medium

 Corrosion behavior of aluminium in 0.6 mol. dm-3 NaCL solution in acidic medium (      ) was investigated in the absence and presence of different concentrations of amino acid, glutamic acid, as environmentally – friendly corrosion inhibitor over temperature range (293-308)K. The investigation involved electrochemical polarization method using potentiostatic technique and optical microscopy, the inhibition efficiency increased with an increase in inhibitor concentration but decreased with increase in temperature. Results showed that the inhibition occurs through adsorption of the inhibitor molecules on the metal surface and it was found to obey Langmuir adsorption isotherm. Some thermodynamic paramet

... Show More
Crossref
View Publication Preview PDF
Publication Date
Sat Jul 01 2023
Journal Name
Baghdad Science Journal
Enhancement of corrosion protection of metal carbon steel C45 and stainless steel 316 by using inhibitor (Schiff base) in sea water

This research has presented a solution to the problem faced by alloys: the corrosion problem, by reducing corrosion and enhancing protection by using an inhibitor (Schiff base). The inhibitor (Schiff base) was synthesized by reacting of the substrates materials (4-dimethylaminobenzaldehyde and 4-aminoantipyrine). It was diagnosed by infrared technology IR, where the IR spectrum and through the visible beams proved that the Schiff base was well formed and with high purity. The corrosion behavior of carbon steel and stainless steel in a saline medium (artificial seawater 3.5%NaCl) before and after using the inhibitor at four temperatures: 20, 30, 40, and 50 C° was studied by using thr

... Show More
Publication Date
Wed Sep 22 2021
Journal Name
International Journal Of Corrosion And Scale Inhibition
Synthesis of a CoO–ZnO nanocomposite and its study as a corrosion protection coating for stainless steel in saline solution

Reaxys Chemistry database information SciVal Topics Metrics Abstract A novel CoO–ZnO nanocomposite was synthesized by the photo irradiation method using a solution of cobalt and zinc complexes and used as a coating applied by electrophoretic deposition (EPD) for corrosion protection of stainless steel (SS) in saline solution. The samples were characterized using powder XRD, scanning electron microscopy (SEM) and electrochemical polarization. It was also found that the coating was still stable after conducting the corrosion test: it contained no cracks and CoO–ZnO nanocomposites clearly appeared on the surface. SEM showed that the significant surface cracking disappeared. XRD confirmed that CoO–ZnO nanocomposites comprised CoO and Zn

... Show More
Scopus (12)
Crossref (4)
Scopus Clarivate Crossref
View Publication Preview PDF
Publication Date
Thu Jul 01 2021
Journal Name
Iraqi Journal Of Science
Shell Model Calculations for Some Properties of 29-34Mg Isotopes

The calculations of the shell model, based on the large basis, were carried out for studying the nuclear 29-34Mg structure. Binding energy, single neutron separation energy, neutron shell gap, two neutron separation energy, and reduced transition probability, are explained with the consideration of the contributions of the high-energy configurations beyond the model space of sd-shell. The wave functions for these nuclei are used from the model of the shell with the use of the USDA 2-body effective interaction. The OBDM elements are computed with the use of NuShellX@MSU shell model code that utilizes the formalism of proton-neutron.

Scopus Crossref
View Publication Preview PDF
Publication Date
Wed Dec 25 2019
Journal Name
International Journal Of Corrosion And Scale Inhibition
Evaluation and characterization of the symbiotic effect of benzylidene derivative with titanium dioxide nanoparticles on the inhibition of the chemical corrosion of mild steel

A new benzylidene derivative, namely N-benzylidene-5-phenyl-1,3,4-thiadiazol-2-amine (BPTA), has been synthesized and instrumentally confirmed with Elemental Analysis (CHN), Nuclear Magnetic Resonance (NMR), and Fourier Transform Infrared Spectroscopy (FT-IR). Titanium Dioxide (TiO2) nanoparticles (NPs) were synthesized and characterized by X-ray. The mutualistic complementary dependence of BPTA with TiO2 nanoparticles as anti-corrosive inhibitor on mild steel (MS) in 1.0 M hydrochloric acid has been tested at various concentrations and various temperatures. The methodological work was achieved by gravimetric measurement methods complemented with surface analysis. The synthesized inhibitor concentrations were 0.1 mM to 0.5 mM and the temper

... Show More
Scopus (62)
Scopus
Preview PDF
Publication Date
Sat Mar 11 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Synthesis and Spectral Characterization of Some New Aromatic Schiff Bases Derivated from 2,4Dinitrophenylhydrazine

  Four novel Schiff bases SB1 to SB4 as new aromatic compound not hydrolysed under ordinary conditions were synthesized in this study by condensation reactions between2,4dinitrophenylhydrazine: firstly with 2,4,4`-trihydroxybenzophenone to give SB1, secondly with  4hydroxybenzophenone to give SB2, thirdly with 4-dimethylaminobenzaldhyde to give SB3 and fourthly with 4-aminobenzaldehyde to give SB4. The molecular structures of these aromatic Schiff bases obtained were identified and characterized based on melting points, elemental analysis(CHN), FT-IR and UV-Visible spectra. The electronic absorption spectra of Schiff bases obtained were studied in the solvents of ethanol, DMF, water, chloroform, carbon tetrachloride and cyclohe

... Show More
View Publication Preview PDF