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Influence of the variation in the Hubbard parameter (<i>U</i>) on activation energies of CeO<sub>2</sub>-catalysed reactions
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Accurate description of thermodynamic, structural, and electronic properties for bulk and surfaces of ceria (CeO2) necessitates the inclusion of the Hubbard parameter (U) in the density functional theory (DFT) calculations to precisely account for the strongly correlated 4f electrons. Such treatment is a daunting task when attempting to draw a potential energy surface for CeO2-catalyzed reaction. This is due to the inconsistent change in thermo-kinetics parameters of the reaction in reference to the variation in the U values. As an illustrative example, we investigate herein the discrepancy in activation and reaction energies for steps underlying the partial and full hydrogenation of acetylene over the CeO2(111) surface. Overall, we find that both activation and reaction energies positively correlate with the increase in the U value. In addition to benchmarking against more accurate theoretical methodologies, we suggest that U values are better optimized against kinetics modelling of experimentally observed profiles of products from the catalytic-assisted system of reactions.

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Publication Date
Fri Dec 01 2023
Journal Name
Iop Conference Series: Earth And Environmental Science
The Effect of (Laccases, Lignin Peroxidases, Manganese Peroxidases Enzymes) on the Chemical Composition of Rough Fodder
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Abstract The results of the effect of the type of feed showed a significant increase (P≤0.01) for palm fronds DM during the incubation period of 7, 14, 21 days, a high Mnp superiority in its incubation 14 days, and a significant superiority of Laccase in its incubation 21 days, while the effect of the enzyme concentration on DM was higher Significant at a concentration of 10% of the enzyme, and the interaction between the type of feed and the enzyme together showed a highly significant increase in the treated palm fronds Laccase and Lip in the incubation period of 7 days, and the treated palm fronds Mnp during incubation 14 days. %, 15% for the interaction between the type of coarse feed and the concentration of the enzyme

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Publication Date
Sun Sep 07 2008
Journal Name
Baghdad Science Journal
Study the effect of thickness and annealing temperature on the Electrical Properties of CdTe thin Films
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The electrical properties of polycrystalline cadmium telluride thin films of different thickness (200,300,400)nm deposited by thermal evaporation onto glass substrates at room temperature and treated at different annealing temperature (373, 423, 473) K are reported. Conductivity measurements have been showed that the conductivity increases from 5.69X10-5 to 0.0011, 0.0001 (?.cm)-1 when the film thickness and annealing temperature increase respectively. This increasing in ?d.c due to increasing the carrier concentration which result from the excess free Te in these films.

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Publication Date
Wed Apr 01 2009
Journal Name
Journal Of Engineering
THE EFFECT OF OPERATING CONDITION FOR CUMENE CRACKING ON THE PERFORMANCE OF PREPARED HX - ZEOLITE CATALYST
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The present study reports the effect of temperature and liquid hourly space velocity (LHSV) on the cumene cracking reaction rate and selectivity by using a laboratory continuous flow unit with fixed bed reactor operating at atmospheric pressure. The prepared HX zeolite was made from Iraqi kaolin with good crystallinity .The activity and selectivity of prepared HX-zeolite was compared with standard HY zeolite and HX zeolite catalysts in the temperature range of 673-823K and LHSV of 0.7-2.5 h-1 . It was found that the cumene conversion increases with increasing temperature and decreasing LHSV at 823K and LHSV of 0.7 h-1 the conversions 65.32, 42.88 and 59.42 mol% for HY, HX and prepared HX catalysts respectively and at LHSV of 2.5 h-1 and th

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Publication Date
Wed Aug 17 2022
Journal Name
Technologies And Materials For Renewable Energy, Environment And Sustainability: Tmrees21gr
Study the effective addition of coumarin dye on the optical properties of poly (methyl meth acrylate)
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The effect of adding different volume of coumarin dye (5, 15, 25 and 35) ml on optical properties of Poly (Methyl Meth Acrylate) was studied. Films of pure PMMA and PMMA with different volume of coumarin dye (5, 15, 25 and 35) ml were prepared using the casting technique. Transmission and absorption of the films were measured by using UV-VIS spectrometer technique type (100 Conc), in order to assess the type of transmission which was found an indirect transition. An optical energy gap of pure PMMA is (4.95e v) and after adding coumarin with volume (25, 35) ml, the energy gap for PMMA decrease by (0.05) compere to pure PMMA films and addition energy gap appear equal to (4.1 e v). It was found that the absorption coefficient, extinction coeff

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Publication Date
Tue Jun 14 2022
Journal Name
Vi.international Scientific Congress Of Pure,applied And Technological Sciences Vi.uluslararası Fen,uygulamalı Ve Teknolojik Araştırmalarkongresi
THE EFFECT OF IRRIGATION INTERVAL AND SPRAYING WITH NANOFERTILIZER ON THE FLOWERING LIFE OF TOMATO PLANTS
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This experiment was carried out in one of the fields (A) affiliated to the College of Agricultural Engineering Sciences / University of Baghdad, for the spring season 2021, On hybrid tomato plants (Mayai Mayai) to test flower viability, using two factors, the first was three levels of irrigation interval (2, 4, 6) days, and the second factor three concentrations of compound Nano fertilizer with concentrations (0, 1.5, 2.5) gm liter-1, so that the number of treatments is 9 treatments and three replications, the number of experimental units is 27 experimental units distributed randomly according to the random drawing method to ensure reducing experimental error and obtaining the most accurate results. A factorial experiment 3 x 3 x 3 was carr

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Publication Date
Tue Oct 20 2020
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
The impact of Glucose and Sodium Chloride on the Biofilm Formation of Pseudomonas aeruginosa & Staphylococcus aureus
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The aim of this research is to evaluate the effect of glucose and sodium chloride on biofilm formation by bacteria causing wound infection. For this purpose, 1% and 2% concentration of each of glucose and sodium chloride were used to test the biofilm formation potential of Staphylococcus aureus and Pseudomonas aeruginosa, which were the most common abundant bacteria that cause infection by biofilm. Each of the concentrations was kept in contact with the pathogenic bacteria for 24 hours. After the period of incubation, the concentration of 1% of glucose enhanced moderate biofilm formation capacity for (66% and 80%) on both bacteria respectively. The concentration of 2% glucose, on the other hand, led to a weak biofilm fo

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Publication Date
Sat Jan 05 2019
Journal Name
Iraqi Journal Of Physics
The effect of heat treatment on the optical properties of organic semiconductor (NiPc/C60) thin films
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Thin films of the blended solution of (NiPc/C60) on glass substrates were prepared by spin-coated method for three different ratios (100/1, 100/10 and 100/100). The effects of annealing temperature and C60 concentration on the optical properties of the samples were studied using the UV-Vis absorption spectroscopy and FTIR spectra. The optical absorption spectrum consists of two main bands, Q and B band, with maxima at about (602-632) nm and (700-730) nm for Q1 and Q2 respectively, and (340-375) nm for B band. The optical energy gap were determined from optical absorption spectra, The variation of optical energy gap with annealing temperature was nonsystematic and this may be due to the improvement in crystal structure for thin films. Whi

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Publication Date
Mon Nov 01 2010
Journal Name
Iraqi Journal Of Physics
The Effect of Germanium Content(x) on the Electrical Properties of (Gex S1-x) Thin Films
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Thin films of GexS1-x were fabricated by thermal evaporating under vacuum of 10-5Toor on glass substrate. The effect of increasing of germanium content (x) in sulfide films on the electrical properties like d.c conductivity (σDC), concentration of charge carriers (nH) and the activation energy (Ea) and Hall effect were investigated. The measurements show that (Ea) increases with the increasing of germanium content from 0.1to0.2 while it get to reduces with further addition, while charge carrier density (nH) is found to decrease and increase respectively with germanium content. The results were explained in terms of creating and eliminating of states in the band gap

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Publication Date
Sun May 07 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
The Effect of Silica Sio2 on the Dielectric and Physical Properties of Mn –Ni Ferrite
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The effect of SiO 2 ) Silica) on the dielectric and physical properties of Mnx-Ni1 -xFe2O4 ،، X=0.5 is studies. The samples are prepared by the conventional manufacturing
method. We found that the physical and dielectric properties of Mn-Ni ferrite change
considerably with the substituent samples .the variation of dielectric constant as a function of
frequency of ferrite system decrease with frequency increases and increase with the increase
the concentration of SiO 2 . It was found that the increase of SiO 2 concentration of all our
samples produce an increase in mass density and decrease with porosities

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Publication Date
Sat Oct 01 2016
Journal Name
Journal Of Non-newtonian Fluid Mechanics
On the stability of the BEK family of rotating boundary-layer flows for power-law fluids
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