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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
Tue Jan 18 2022
Journal Name
Iraqi Journal Of Science
Origin of Dolomites in the Baluti Formation (Late Triassic), Galley Derash Area, N-Iraq: Petrography, Textural and Diagenetic Properties
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Baluti Formation of the Rhaetian (Late Triassic) age is composed mainly of dolomite, the unit formed with dolomitic limestone, dolomitic breccias and limestone begins with gray or dark gray colored and sugar textured dolomitic limestones including micrite with shale horizons. Baluti Formation was deposited in carbonate platform, and slumped to deeper margins forming carbonate debrites and breccias of various types.
Petrographic examination of the dolomites reveals various crystal habits and textures of the dolomites. Planktonic bivalve, calcisphere and echinoid spicules were found in the Baluti Formation settled in deep-margin carbonate environment. Nine dolomite-rock textures were identified and classified according to the crystal-si

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Publication Date
Thu Feb 06 2025
Journal Name
Journal Of Baghdad College Of Dentistry
A comparative study to evaluate the shear bond strength of different resin sealers to dentin (An in vitro study)
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Background: One of the major problems in endodontics is micro-leakage of root canal fillings which might contribute to the failure of endodontic treatment. To avoid this problem, a variety of sealers have been tested. The objective of this, in vitro, study was to evaluate the shear bond strength of four resin based sealers (AH plus, silver free AH26, RealSeal SE and Perma Evolution permanent root canal filling material) to dentin. Materials and Methods: Forty non-carious extracted lower premolars were used. The 2mm of the occlusal surfaces of teeth were sectioned, to expose the dentin surface. The exposed dentin surfaces of teeth were washed with 5ml of 2.5% NaOCl solution followed by 5ml of 17 % EDTA then rinsed by deionized water to remov

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Publication Date
Sun Sep 29 2019
Journal Name
Iraqi Journal Of Science
The Competition between of invasive Hydrilla verticillata L.f. and native Ceratophyllum demersum L. in monocultures and mixed cultures experimental
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     The present study aims to assess inter-specific competition between Hydrilla verticillata and Ceratophyllum demersum. A competition experiment design has five treatment combinations to terminal shoots of C. demersum only, terminal shoots of H. verticillata only and three different treatment combinations of C. demersum and H. verticillata together. Our results showed parameters growth of C. demersum were decreased of which, total chlorophyll, protein, and biomass while Superoxide dismutase (SOD), and Catalase (CAT) enzymes increase were significantly (p<0.05) compare with control treatment. While H. verticillata were increased total chlorop

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Publication Date
Fri Jun 24 2022
Journal Name
Iraqi Journal Of Science
Petrology, Mineralogy and Diagenesis of the Rus and Jil Formations (l- Eocene) in Najif and Samawa areas, Southern Iraq
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This research deals with study of the Petrology and mineralogy of the Rus and Jil Formations at Najif and Al-Muthanna Governorates, Southern Iraq. The Rus Formation consists mainly of evaporites and subordinate carbonates. The evaporites are characterized by nodular structure (compound wispy, wispy, structureless and mosaic structures) with some laminated structure at the studied sections. Compound wispy to wispy structure are the dominant structures. The Jil Formation consists almost entirely of carbonate. The carbonate rocks are dolomitic limestone and dolomite beds, massive, fossiliferous, cavernous sometime friable and bioturbated in its lower part. The Jil Formation contains evaporites as thin beds, sometimes nodular and contains se

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Publication Date
Wed Sep 15 2021
Journal Name
Al-academy
representations of body language in the contemporary Iraqi theatrical show "Imagine That as a model": عمار عبد سلمان محمد
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There is no doubt that each of the arts has a material from which the aesthetic achievement is built, so the researcher found that the art of theater, especially the show, whose artistic achievement is based on the body of the actor who emits the formal language (body language), is the focus of interest and active presence, because the body possesses its spiritual qualities that made him and the ability to The formation of things by (his body language), so the researcher studied this theatrical phenomenon and divided it into four chapters. In the first chapter, the research problem included the following question: (Is there a phenomenon of body language in the contemporary theatrical show "Imagine that" as a model) so It is of cognitive

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Publication Date
Fri Jun 01 2018
Journal Name
Journal Of Accounting And Financial Studies ( Jafs )
The role of external audit in banking risk management: A typical framework for control testing and banking risk assessment
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Banks face many of the various risks: which are of dangerous phenomena that cause the state achieved a waste of money and a threat to future development plans to be applied to reach the goals set by: prompting banks and departments to find appropriate solutions and fast: and it was within these solutions rely on Banking risk management and effective role in defining and identifying: measuring and monitoring risk and trying to control and take risks is expected to occur in order to encircle and make it in within acceptable limits: and try to avoid them in the future to reduce the losses that are likely to be exposed to the bank: and it began to emerge and dominate a lot of legislation that seeks to structure the year risk management and t

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Publication Date
Thu Jun 08 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Theoretical Calculations of the Electron Transport Parameters in CH4-Ar and CH4-Ne Mixtures Gases Using Monte Carlo Method
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    The result of concentration varying of mixture methane with argon and neon gas are believed to study the change in electrons energy distribution function and then the change of the electrons transport parameters including the drift velocity, the mean energy, characteristics energy and diffusion coefficient. In the present work,a contemporary developed computer, simulation program known as Bolsig+ is being used for calculating the electron transport parameters.
 

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Publication Date
Sun Sep 02 2012
Journal Name
Baghdad Science Journal
Testing the ability of Porcellionides pruinosus (Brandt 1833) Isopoda Crustaceans to decompose and consume cellulosean wastes in different ecosystems
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The present study was undertaken to use individual terrestrial crustacean from Isopoda such as the species Porcellionides pruinosus (Brandt 1833) as environmental cleaner and that through the test of their abilities in decomposition of residues of some cellulosean wastes such as wood pieces which contain high ratio of urban wastes, and residue of Zea mays and particularly leaves as plant waste in agricultural fields and residue of Cynodon dactylon plants which compose the main wastes in most of gardens and parks. Experiments were conducted relatively in stable laboratory conditions to ensure environmental conditions similar to crustaceans' life. The results showed presence of good efficiency of these individuals in treating such wastes as

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Publication Date
Sun Sep 15 2024
Journal Name
Journal Of Baghdad College Of Dentistry
The reliability of insertion torque as an indicator for primary stability in immediate dental implant: A prospective clinical study
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Background: The primary stability of the dental implant is a crucial factor determining the ability to initiate temporary implant-supported prosthesis and for subsequent successful osseointegration, especially in the maxillary non-molar sites. This study assessed the reliability of the insertion torque of dental implants by relating it to the implant stability quotient values measured by the Osstell device. Material and methods: This study included healthy, non-smoker patients with no history of diabetes or other metabolic, or debilitating diseases that may affect bone healing, having non-restorable fractured teeth and retained roots in the maxillary non-molar sites. Primary dental implant stability was evaluated using a torque ratc

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Publication Date
Fri Jun 28 2024
Journal Name
Medicine
The radio anatomical arrangement of nerve roots at L3 level in cauda equina sac is it affected by diseases?
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An observational study to discover the common conditions affecting the lumbosacral region that may affect lumbosacral position and tension. All the patients, underwent MRI exaamination (magnetic resonance imaging) in the supine position, were examined by the same consultant radiologist. The article was revised by the institutional ethical approval committee. The position of the nerve roots was observed, and the number of nerve roots was calculated anterior to a line passing between the mid-transvers process of L3(third lumbar vertebra). The number of nerve roots ahead of this line was calculated by the radiologist at the level of the right intervertebral foramen and at the left one. This procedure was applied to the normal group, an

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