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HOMO-LUMO Energies and Geometrical Structures Effecton Corrosion Inhibition for Organic Compounds Predict by DFT and PM3 Methods
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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.

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Publication Date
Sun Mar 01 2020
Journal Name
Journal Of Engineering
Assessment Improving of Rainwater Retention on Crop Yield and Crop Water Use Efficiency for Winter Wheat
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Storage of rainwater within the root depth zone is one of the modern ways to increase plant production. Subsurface water retention technology was applied to assess improving values of crop yield and crop water use efficiency, applying a membrane made of low-density polyethylene trough installed below the crop root zone. The goal of this paper is to assess that the retention of rainwater above the membrane can improve the crop yield and crop water use efficiency values for winter wheat. The experiment was conducted in open field, within Joeybeh Township, located in east of the Ramadi City, in Anbar Province, in winter growing season 2018-2019. Two plots T1 (with membrane trough) and T2 (without membrane) were used for the

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Publication Date
Tue Mar 28 2017
Journal Name
Iraqi Journal Of Pharmaceutical Sciences ( P-issn 1683 - 3597 E-issn 2521 - 3512)
Polymeric Membrane Sensors for the Selective Determination of Metoclopramide Hydrochloride and their Applications to Pharmaceutical Analysis
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Metoclopramide (MCP) ion selective electrodes based on metoclopramide-phosphotungstic acid (MCP-PT) ion pair complex in PVC matrix membrane were constructed. The plasticizers used were tri-butyl phosphate (TBP), di-octyl phenyl phosphonate (DOPP), di-butyl phthalate (DBPH), di-octyl phthalate (DOP), di-butyl phosphate (DBP), bis 2-ethyl hexyl phosphate (BEHP). The sensors based on TBP, DOPP, DBPH and DOP display a fast, stable and linear response with slopes 59.9, 57.7, 57.4, 55.3 mV/decade respectively at pH ranged 2-6. The linear concentration range between 1.0×10-5 – 1.0×10-2 M with detection limit 3.0×10-6 and 4.0×10-6 M for electrodes using TBP, DOPP and DBPH while e

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Publication Date
Mon Jun 19 2023
Journal Name
Journal Of Engineering
Active Carbon from Date Stones for Phenol Oxidation in Trickle Bed Reactor, Experimental and Kinetic Study
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The catalytic wet air oxidation (CWAO) of phenol has been studied in a trickle bed reactor

using  active  carbon  prepared  from  date  stones  as  catalyst  by  ferric  and  zinc  chloride activation (FAC and ZAC). The activated carbons were characterized by measuring their surface area and adsorption capacity besides conventional properties, and then checked for CWAO using a trickle bed reactor operating at different conditions (i.e. pH, gas flow rate, LHSV, temperature and oxygen partial pressure). The results showed that the active carbon (FAC and ZAC), without any active metal supported, gives the highest phenol conversion. The reaction network proposed account

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Publication Date
Fri Oct 01 2021
Journal Name
International Journal Of Drug Delivery Technology
Formulation and In-vitro Evaluation of Thermosensitive Ciprofloxacin HCL In-situ Gel for Local Nasal Infection
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Publication Date
Mon Jul 22 2019
Journal Name
Journal Of Petroleum Exploration And Production Technology
Flow units and rock type for reservoir characterization in carbonate reservoir: case study, south of Iraq
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Abstract<p>The current work is focused on the rock typing and flow unit classification for reservoir characterization in carbonate reservoir, a Yamama Reservoir in south of Iraq (Ratawi Field) has been selected, and the study is depending on the logs and cores data from five wells which penetrate Yamama formation. Yamama Reservoir was divided into twenty flow units and rock types, depending on the Microfacies and Electrofacies Character, the well logs pattern, Porosity–Water saturation relationship, flow zone indicator (FZI) method, capillary pressure analysis, and Porosity–Permeability relationship (R35) and cluster analysis method. Four rock types and groups have been identified in the Yamama formation de</p> ... Show More
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Publication Date
Thu Aug 01 2024
Journal Name
Journal Of Ecological Engineering
Synthesis and Characterization of Acidic Activated Carbon from Corncobs for Adsorption Desulfurization of Simulated Crude Oil
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Corncob is an agricultural biomass waste that was widely investigated as an adsorbent of contaminants after transforming it into activated carbon. In this research carbonization and chemical activation processes were achieved to synthesize corncob-activated carbon (CAC). Many pretreatment steps including crushing, grinding, and drying to obtain corncob powder were performed before the carbonization step. The carbonization of corncob powder has occurred in the absence of air at a temperature of 500 °C. The chemical activation was accomplished by using HCl as an acidic activation agent. Fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), X-ray diffraction (XRD), and Brunauer–Emmett–Teller (BET) facilitate

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Publication Date
Sun Jan 30 2022
Journal Name
Heat Transfer
Theoretical and experimental investigation of a heat pipe heat exchanger for energy recovery of exhaust air
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Heat pipes and two‐phase thermosyphon systems are passive heat transfer systems that employ a two‐phase cycle of a working fluid within a completely sealed system. Consequently, heat exchangers based on heat pipes have low thermal resistance and high effective thermal conductivity, which can reach up to the order of (105 W/(m K)). In energy recovery systems where the two streams should be unmixed, such as airconditioning systems of biological laboratories and operating rooms in hospitals, heat pipe heat exchangers (HPHEs) are recommended. In this study, an experimental and theoretical study was carried out on the thermal performance of an air‐to‐air HPHE filled with two refrigerants as working fluids, R22 and R407c. The heat pipe he

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Publication Date
Fri Jan 31 2025
Journal Name
Passer Journal Of Basic And Applied Sciences
Enhanced Security Taxonomy for Fog-Enabled VANETs: A Comprehensive Survey on Attacks, Challenges, Applications and Architectures
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Vehicular Ad Hoc Networks (VANETs) are integral to Intelligent Transportation Systems (ITS), enabling real-time communication between vehicles and infrastructure to enhance traffic flow, road safety, and passenger experience. However, the open and dynamic nature of VANETs presents significant privacy and security challenges, including data eavesdropping, message manipulation, and unauthorized access. This study addresses these concerns by leveraging advancements in Fog Computing (FC), which offers lowlatency, distributed data processing near-end devices to enhance the resilience and security of VANET communications. The paper comprehensively analyzes the security frameworks for fog-enabled VANETs, introducing a novel taxonomy that c

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Publication Date
Tue May 01 2018
Journal Name
Journal Of Physics: Conference Series
Feasibility Study of a Solar Flat Plate Collector for Domestic and Commercial Applications under Iraq Climate
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Publication Date
Thu Jul 04 2024
Journal Name
Pharmaceutics
Formulation Development of Meloxicam Binary Ethosomal Hydrogel for Topical Delivery: In Vitro and In Vivo Assessment
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Abstract: The article aimed to formulate an MLX binary ethosome hydrogel for topical delivery to escalate MLX solubility, facilitate dermal permeation, avoid systemic adverse events, and compare the permeation flux and efficacy with the classical type. MLX ethosomes were prepared using the hot method according to the Box–Behnken experimental design. The formulation was implemented according to 16 design formulas with four center points. Independent variables were (soya lecithin, ethanol, and propylene glycol concentrations) and dependent variables (vesicle size, dispersity index, encapsulation efficiency, and zeta potential). The design suggested the optimized formula (MLX−Ethos−OF) with the highest desirability to perform the

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