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.
A condense study was done to compare between the ordinary estimators. In particular the maximum likelihood estimator and the robust estimator, to estimate the parameters of the mixed model of order one, namely ARMA(1,1) model.
Simulation study was done for a varieties the model. using: small, moderate and large sample sizes, were some new results were obtained. MAPE was used as a statistical criterion for comparison.
In this contribution, new derivatives of bicyclic fused rings with bridgehead nitrogen of 3-substituted imidazo/pyrimidine derivatives A1-A3 were synthesized by reacting 2-aminobenzothiazol, acetyl acetone, and different substituted aldehydes in a one-pot reaction. These compounds A1-A3 were then condensed with 4-bromobenzaldehyde and 4-(N,N-dimethylamino)benzaldehyde to form new chalcone derivatives A4-A9. Ring closure of these compounds A4-A9 with urea and malononitrile afforded new oxopyrimidine derivatives A10-A15 and cyanopyridine derivatives A16-A21, respectively. These compounds were characterized by FT-IR, 1H NMR, and 13C NMR spectroscopy. The second part of this work included some of the i
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We have presented the distribution of the exponentiated expanded power function (EEPF) with four parameters, where this distribution was created by the exponentiated expanded method created by the scientist Gupta to expand the exponential distribution by adding a new shape parameter to the cumulative function of the distribution, resulting in a new distribution, and this method is characterized by obtaining a distribution that belongs for the exponential family. We also obtained a function of survival rate and failure rate for this distribution, where some mathematical properties were derived, then we used the method of maximum likelihood (ML) and method least squares developed (LSD)
... Show MoreLaboratory model tests were performed to investigate the behavior of shallow and inclined skirted foundations placed on sandy soil with R.D%=30 and the extent of the impact of the positive and negative eccentric-inclined loading effect on them. To achieve the experimental tests, it was used a box of (600×600) mm cross-sectional and 600mm in height and a square footing of (50*50) mm and 10 mm in thickness attached to the skirt with Ds=0.5B and various an angle of (10°, 20°, 30°). The results showed that using skirts leads to a significant improvement in load-carrying capacity and decreased settlement. In addition, when the skirt angle increased, the ultimate load improved. Load-carrying capacity decreased with increasing eccentri
... Show MoreThe use of real-time machine learning to optimize passport control procedures at airports can greatly improve both the efficiency and security of the processes. To automate and optimize these procedures, AI algorithms such as character recognition, facial recognition, predictive algorithms and automatic data processing can be implemented. The proposed method is to use the R-CNN object detection model to detect passport objects in real-time images collected by passport control cameras. This paper describes the step-by-step process of the proposed approach, which includes pre-processing, training and testing the R-CNN model, integrating it into the passport control system, and evaluating its accuracy and speed for efficient passenger flow
... Show MoreThis research deals with a 2D seismic structural and stratigraphic interpretation of Khan Al-Baghdadi area which is located in the western part of Iraq in Anbar governorate. Two main seismic reflectors are identified within the Silurian and Ordovician; these are the Hot_shale_1 within Akkas Formation and the Top Khabour Formation, which were deposited during the Paleozoic, based on synthetic seismogram of Akk_3 well near the study area. Time, depth, and velocity maps show the presence of two anticline structures trending east-west and located on the west side of the study area. The first is the Tulul structure (here denoted as A) and the second is denoted as B. Also, the maps show the increase in time towards the
... Show MoreThe aim of this study was to provide an overall assessment to the efficiency of the Iraq stocks exchanges (ISE) through specifying well –known models .First, Fama's efficient market hypothesis as a contrary concept to the random walk hypothesis, was performed and it has been found that ISE follows the random process, so the price of the shares can't be predicated on the basis of past information. Second,we use a multifactor model, which so named multiple regression, to explore the link between ISE and the main economic indicators. our empirical analysis finds that every weak associations exists between major ISE measures and main economic indicators.
Under high concentrations of antibiotics, a fraction of the bacterial population exhibits a phenomenon known as persistence. Toxin- system (TA system) has been reported to be involved in the formation of E. coli, Mycobacterium, and S. aureus persisters. In this study, the ability of thirty Iraqi isolates of MRSA to form in vitro persister cells after exposure to three different antibiotics (Ceftriaxone 30 µg, Mecillinam 10 µg, and Mupirocin 20 µg) was examined by TD test. Additionally, efflux pump inhibitor [Fluphenazine 0.25 mg/ml] was combined with the antibiotic that triggered persister formation. The distribution of mazEF and yefM-yoeB (Type II TA system) in the tested isolates was detected by PCR. 91% of Mupirocin su
... Show MoreThe Tigris River in Iraq is of highly meandering in several of its parts. So, the largest meandering inside Baghdad City, is in Al-Jadriyah. During its course, the Tigris Riverbanks are facing erosion frequently due to alteration in the geomorphological and hydrological characteristics affecting the river channel. The entire length of Tigris River from the northern entrance of Baghdad to the convergence with Diyala River at southern of Baghdad is about 49 km length. The Tigris River is suffering from the erosion, deposition, and migration conditions. The river migration was found as maximum in the left bank at the side of the University, and lesser in the right bank in the opposite side, Dora. The aim of this study is to measure the magn
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