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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 May 01 2020
Journal Name
Iraqi Geological Journal
DETERMINATION OF PORE TYPES AND POROSITY TRENDS USING OF VELOCITY-DEVIATION LOG FOR THE CARBONATE MISHRIF RESERVOIR IN HALFAYA OIL FIELD, SOUTHEAST IRAQ
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Publication Date
Sun Jun 02 2019
Journal Name
Baghdad Science Journal
Assessing of Some Toxic Heavy Metals Levels and Using Geo Accumulation Index in Sediment of Shatt Al-Arab and the Iraqi Marine Region
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Mercury, arsenic, cadmium and lead, were measured in sediment samples of river and marine environmental of Basra governorate in southern of Iraq. Sixteen sites of sediment were selected and distributed along Shatt Al-Arab River and the Iraqi marine environment. The samples were distributed among one station on Euphrates River before its confluence with Tigris River and Shatt Al-Arab formation, seven stations along Shatt Al-Arab River and eight stations were selected from the Iraqi marine region. All samples were collected from surface sediment in low tide time. ICP technique was used for the determination of mercury and arsenic for all samples, while cadmium and lead were measured for the same samples by using Atomic Absorption Spectrosc

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Publication Date
Tue Jan 01 2019
Journal Name
African Journal Of Hospitality, Tourism And Leisure
Employing marketing information systems for the success of small and medium enterprises: A field study of some Tourism and Travel companies in Baghdad
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Publication Date
Wed Dec 30 2020
Journal Name
Iraqi Journal Of Science
Approximate Treatment for The MHD Peristaltic Transport of Jeffrey Fluid in Inclined Tapered Asymmetric Channel with Effects of Heat Transfer and Porous Medium
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In this paper, we discuss a fluid problem that has wide applications in biomechanics, polymer industries, and biofluids. We are concerned here with studying the combined effects of porous medium and heat transfer on MHD non-Newtonian Jeffery fluid which flows through a two dimensional asymmetric, inclined tapered channel. Base equations, represented by mass conservation, motion, energy and concentration conservation, were formulated first in a fixed frame and then transformed into a moving frame. By holding the assumptions of “long wavelength and low Reynolds number” these physical equations were simplified into differential equations. Approximate solutions for the velocity profile, stream function, and temperature profile we

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Publication Date
Tue Jan 19 2021
Journal Name
Isprs International Journal Of Geo-information
The Potential of LiDAR and UAV-Photogrammetric Data Analysis to Interpret Archaeological Sites: A Case Study of Chun Castle in South-West England
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With the increasing demands to use remote sensing approaches, such as aerial photography, satellite imagery, and LiDAR in archaeological applications, there is still a limited number of studies assessing the differences between remote sensing methods in extracting new archaeological finds. Therefore, this work aims to critically compare two types of fine-scale remotely sensed data: LiDAR and an Unmanned Aerial Vehicle (UAV) derived Structure from Motion (SfM) photogrammetry. To achieve this, aerial imagery and airborne LiDAR datasets of Chun Castle were acquired, processed, analyzed, and interpreted. Chun Castle is one of the most remarkable ancient sites in Cornwall County (Southwest England) that had not been surveyed and explored

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Publication Date
Tue Dec 01 2015
Journal Name
Journal Of Engineering
Experimental Evaluation Use of Semifluidized Bed Adsorber for the Treatment of P-chlorophenol and O-cresol in Wastewater using Activated Carbon as Adsorbent
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In the present work the performance of semifluidized bed adsorber was evaluated for removal of phenolic compound from wastewater using commercial activated carbon as adsorbent. P-chlorophenol (4-Chlorophenol) and o-cresol (2-methylphenol) was selected as a phenolic compound for that purpose. The phenols percent removal, in term of breakthrough curves were studied as affected by hydrodynamics limitations which include minimum and maximum semifluidization velocities and packed bed formation in the column by varying various parameters such as inlet liquid superficial velocity (from Uminsf to 8Uminsf m/s), and retaining grid (sometimes referred to as adsorbent loading) to initial static bed height ratio (from 3-4.5). In

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Publication Date
Wed Jun 27 2018
Journal Name
Iraqi Journal Of Science
Finite strain of the Tertiary rocks and their relation to tectonic deformation at Al-Tib Anticline in Missan governorate, Southeastern part of Iraq
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This paper presents the finite strain results from seven oriented samples data on Tertiary sandstone of Muqdadiya Formation and (400) samples of pebbles and conglomerate of Bai –Hassan Formation at the southwestern limb of Al-Tib Anticline in the Southeastern part of Iraq. Measurement and analysis of finite strain are carried out including these rocks at fluvio- lacustrine environment. The present study followed Fry method. The computed strain was, in the form of ellipses, within three prepared perpendicular  planes in a single sample and Center to Center method was used to determine the strain ratio of the these samples. The strain in the studied area is low, this is mainly due to the sampled rocks underwent brittle deformation d

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Publication Date
Thu Dec 13 2018
Journal Name
Iraqi National Journal Of Nursing Specialties
Impact of Family Physicians' Practices upon the Quality of Family Medicine Health Care Services at Model Primary Health Care Centers in Baghdad City
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Objective(s): To evaluate the family physicians' practices and to measure its impact upon the quality of family
medicine health care in Baghdad City model primary health care centers.
Methodology: A descriptive study, using the evaluation approach, has evaluated the impact of family physicians'
practices upon quality of healthcare in Baghdad's Model Primary Health Care Centers of Family Medicine. It is
carried out during 15th of May – 20th of August 2017. The study is conducted at five model primary health care
centers of family medicine from two districts; AL-Rusafa and AL-Kurkh. Sample size is calculated to be (76)
family physicians. Convenient sample of (124) patients who are attending these primary health care cen

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Publication Date
Sun Jun 02 2019
Journal Name
Baghdad Science Journal
Comparative Histological Study of the Stomach in Two Species of Iraqi Vertebrates (Magpie Pica pica L. and Small Asian Mongoose Herpestes javanicus E.)
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          A histological study showed the wall of the stomach in Pica pica and Herpestes javanicus consists of four layers: mucosa, submucosa, muscularis externa and serosa. Also, the present study showed many  differences in the histological structures of the stomach for each in both types. The stomach of P. pica consists of two portions: the proventiculus and gizzard, while the stomach of H. javanicus consists of three portions: cardiac, fundic and pyloric regions. The mucosa layer formed short gastric folds, named plicae. In the proventiculus of P. pica, sulcus is found between each two plicae, but the folds called gastric p

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Publication Date
Sat Jul 01 2017
Journal Name
Bulletin Of The Iraq Natural History Museum (p-issn: 1017-8678 , E-issn: 2311-9799)
FIRST RECORD OF APOLEPTOMASTIX BICOLORICORNIS (GIRAULT, 1915) (HYMENOPTERA, ENCYRTIDAE), AS PARASITOID OF THE RICE MEALYBUG, BREVENNIA REHI (LINDINGER, 1943) (HEMIPTERA, PSEUDOCOCCIDAE) IN IRAQ
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Here we report for the first time the presence of Apoleptomastix bicoloricornis (Girault, 1915) (Hymenoptera, Encyrtidae), as parasitoid of the rice mealybug, Brevennia rehi (Lindinger, 1943) (Hemiptera, Psedococcidae) in Iraq. Brief notes are provided in distinguishing the parasitoid from other closely allied species.

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