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DFT and experimental investigation of a novel 1,2,4-triazole derivative as a corrosion inhibitor for carbon steel A106 G/B in HCl solution
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This work introduces a newly synthesized triazole derivative, 5-([(2-furanyl)methyl]-thiomethyl)-4-(naphtha-2-yl)-3-hydroxyl-4H-1,2,4-triazole (FTNT), as an effective corrosion inhibitor for carbon steel A106 G/B in 0.1 M HCl solution. The structure of the novel derivative was confirmed by FTIR, 1 H NMR, and 13 C NMR spectra. Potentiodynamic polarization measurements reveal that FTNT markedly suppresses corrosion, with inhibition efficiency reaching 81.6% at 600 ppm. Thermodynamic analysis indicates spontaneous, physisorption/chemisorption-augmented adsorption of FTNT on the steel surface, best described by the Freundlich isotherm. Atomic force microscopy (AFM) surface examination demonstrated that a protective FTNT coating precipitated on the metal surface. The experimental findings are corroborated by complementary density functional theory calculations at the B3LYP/6-311++G (d, p) level, which demonstrate advantageous electronic properties and adsorption propensity that are correlated with high inhibitory efficiency. The results provide molecular-level insight into the rational design of triazole-based corrosion inhibitors, and FTNT represents a focused, well-characterized inhibitor with practical potential to reduce carbon steel corrosion in acidic settings.

Publication Date
Mon Jan 01 2007
Journal Name
Atti Della “fondazione Giorgio Ronchi”
Photo-physical characterization of Rhodamine B in liquid and solid solutions
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SUMMARY. – Absorption, flourescence, quantum yield and lifetime of rhodamine B in chloroform, methanol and dimethyl sulfoxide were measured. A comparison was done of these quantities with those for solid solutions, which are obtained by mixing constant volume proportions of dye at a concentration of 1×10–4M/l with different volume proportions from the concentrated solution of polymer in chloroform and dimethyl sulfoxide. The results showed that the addition of polymer to liquid concentrated solutions (1×10–4M/l) of rhodamine B dye from expecting, which leads to development of active medium for laser dye at high concentration, increase the spectra shift toward high energies, and the luminescence quantum yield but decreasing radiative

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Publication Date
Sat Jan 01 2022
Journal Name
Journal Of The Mechanical Behavior Of Materials
Influence of water-absorbent polymer balls on the structural performance of reinforced concrete beam: An experimental investigation
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Abstract<p>This research investigated the influence of water-absorbent polymer balls (WAPB) on reinforced concrete beams’ structural behavior experimentally. Four self-compacted reinforced concrete beams of identical geometric layouts 150 mm × 200 mm × 1,500 mm, reinforcement details, and compressive strength <inline-formula> <alternatives> <inline-graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="graphic/j_jmbm-2022-0024_eq_001.png"></inline-graphic> <math xmlns:m="http://www.w3.org/1998/Math/MathML"> <msubsup> <mrow> </mrow></msubsup></math></alternatives></inline-formula></p> ... Show More
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Publication Date
Wed Dec 22 2021
Journal Name
Antibiotics
Classic vs. Novel Antibacterial Approaches for Eradicating Dental Biofilm as Adjunct to Periodontal Debridement: An Evidence-Based Overview
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Periodontitis is a multifactorial chronic inflammatory disease that affects tooth-supporting soft/hard tissues of the dentition. The dental plaque biofilm is considered as a primary etiological factor in susceptible patients; however, other factors contribute to progression, such as diabetes and smoking. Current management utilizes mechanical biofilm removal as the gold standard of treatment. Antibacterial agents might be indicated in certain conditions as an adjunct to this mechanical approach. However, in view of the growing concern about bacterial resistance, alternative approaches have been investigated. Currently, a range of antimicrobial agents and protocols have been used in clinical management, but these remain largely non-v

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Publication Date
Wed Nov 30 2022
Journal Name
Iraqi Journal Of Science
Synthesis and Characterization of Ni2O3 as a Phase of Nickel Oxide Nanomaterial
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    Ni2O3 nanomaterial, a phase of nickel oxide, is synthesized by a simple chemical process. The pure raw materials used in the present process were nickel chloride hexahydrate NiCl2.6H2O and potassium hydroxide KOH by utilizing temperature at 250 oC for 2 hour.  The structural, morphological and optical properties of the synthesized specimens of Ni2O3 were investigated employing diverse techniques such as XRD, AFM, SEM and UV-Vis, respectively. The XRD technique confirms the presence of Ni2O3 nanomaterial with crystal size of 57.083 nm which indexing to the (2θ) of 31.82; this results revealed the Ni2O3 was a phase of nickel oxide with Nano structure. The synthesized Ni2O3 will be useful in manufacturng electrodes materials f

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Publication Date
Tue Apr 01 2003
Journal Name
Abhath Al- Yarmouk [basic Sciences And Engineering]
Methodology for selecting Nonprestressed Steel in Post- Tensioning Beams
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Publication Date
Wed Oct 24 2018
Journal Name
Chalcogenide Letters
STUDY OF GEOMETRICAL AND ELECTRONIC PROPERTIES OF ZnS WURTZOIDS VIA DFT
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Publication Date
Fri Dec 23 2022
Journal Name
Innovative Infrastructure Solutions
Experimental modeling of a single pile in liquefiable soil under the effect of coupled static-dynamic loads
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In this work, a single pile is physically modeled and embedded in an upper liquefiable loose sand layer overlying a non-liquefiable dense layer. A laminar soil container is adopted to simulate the coupled static-dynamic loading pile response during earthquake motions: Ali Algharbi, Halabjah, El-Centro, and Kobe earthquakes. During seismic events with combined loading, the rotation along the pile, the lateral and vertical displacements at the pile head as well as the pore pressure ratio in loose sandy soil were assessed. According to the experimental findings, combined loading that ranged from 50 to 100% of axial load would alter the pile reaction by reducing the pile head peak ground acceleration, rotation of the pile, and lateral displacem

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Publication Date
Wed Jun 24 2020
Journal Name
Journal Of Engineering
Using Steel Slag for Stabilizing Clayey Soil in Sulaimani City-Iraq
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The clayey soils have the capability to swell and shrink with the variation in moisture content. Soil stabilization is a well-known technique, which is implemented to improve the geotechnical properties of soils. The massive quantities of waste materials are resulting from modern industry methods create disposal hazards in addition to environmental problems. The steel industry has a waste that can be used with low strength and weak engineering properties soils. This study is carried out to evaluate the effect of steel slag (SS) as a by-product of the geotechnical properties of clayey soil. A series of laboratory tests were conducted on natural and stabilized soils. SS was added by 0, 2.5, 5, 10, 15, and 20% to the soil.

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Publication Date
Sun Dec 31 2023
Journal Name
Lark
Digital and pedagogical practices of French as a foreign language in a post-COVID-19 context (The case of the University of Baghdad)
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Publication Date
Sun Mar 04 2018
Journal Name
Baghdad Science Journal
Synthesis and Characterization of a Molecularly Imprinted Polymer for Diclofenac Sodium Using (2-vinylpyridine and 2-hydroxyethyl metha acrylate) as the Complexing Monomer
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Four electrodes were synthesized based on molecularly imprinted polymers (MIPs). Two MIPs were prepared by using the diclofenac sodium (DFS) as the template, 2-hydroxy ethyl metha acrylate(2-HEMA) and 2-vinyl pyridine(2-VP) as monomers as well as divinyl benzene and benzoyl peroxide as cross linker and initiator respectively. The same composition used for prepared non-imprinted polymers (NIPs) but without the template (diclofenac sodium). To prepared the membranes electrodes used different plasticizers in PVC matrix such as: tris(2-ethyl hexyl) phosphate (TEHP), tri butyl phosphate (TBP), bis(2-ethyl hexyl) adipate (BEHA) and tritolyl phosphate (TTP). The characteristics studied the slop, detection limit, life time and linearity range of DF

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