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.
In this paper, we focused on the investigated and studied the cold fusion reaction rate for D-D using the theory of Bose-Einstein condensation and depending on the quantum mechanics consideration. The quantum theory was based on the concept of single conventional of deuterons in Nickel-metal due to Bose-Einstein condensation, it has supplied a consistent description and explained of the experimental data. The analysis theory model has capable of explaining the physical behaviour of deuteron induced nuclear reactions in Nickel metals upon the five-star matter, it's the most expected for a quantitative predicted of the physical theory. Based on the Bose-Einstein condensation theorem formulation, we calculation the cold fusion reaction rate fo
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Objective (s): To evaluate reasons for partial compliance and non-compliance to the
routine childhood vaccination schedule in Al-Karkh district
Methodology: Descriptive study , using the evaluation approach, is carried throughout the present study to determine the reasons for the Routine Childhood Vaccination at health care sectors and primary health care centers at Al-Karkh District in Baghdad City, Convenient, non-probability, sample of (90) mother who are recruited from health care sectors at Al-Karkh District in Baghdad City. All mothers, who ha
... Show MoreThis study aims to identify the role of electronic management in simplifying the work procedures at Imam Muhammad bin Saud Islamic University. The study was based on the random sample of (366) individuals. The data were collected through interviews and questionnaire. The statistical tests were applied according to the data and the study hypotheses: Cronbach’s Alpha, mean, standard deviation, Z test, ANOVA. The study concluded numbers of results: Imam Muhammad bin Saud Islamic University applies electronic management in its administrative processes (planning, organizing, directing, controlling) to a very high level. There are substantial differences in the views of the sample me
... Show MoreThe purpose of this study is to investigate the capability of bacterial DNA compared to bacterial lysate in stimulating arthritis using rat model. One hundred mid-stream urine specimens were collected during November 2012 to January 2013, from patients suffering from urinary tract infections attending hospitals in Baghdad, Iraq. Susceptibility of Staphylococcus aureus isolates to antibiotics was examined. Twenty five isolates were identified as S. aureus and they developed multi drug resistance. S. aureus S1 lyaste and its DNA were intra-articulary injected in rats. The levels of IL-6, anti-ds DNA Ab and leukocytes count were measured. In general, IL-6, anti-ds DNA Ab and leukocytes count were significantly higher in sera of rats injecte
... Show MoreA simple, fast, and sensitive batch and flow injection spectrophotometric
methods have been developed for the determination of clonazepam(CZP) in pure
form and in pharmaceutical preparations. The proposed methods are based on the
oxidative coupling reaction of the reduced clonazepam using Zn powders and conc.
HCl with payrocatechol and in the presence of ferric sulphate. The resulting reddish
colored product had a maximum absorbance at 515 nm. The optimum reaction
conditions and other analytical parameters have been evaluated . The linear ranges
for the batch and FI methods determination of CZP were 0.5-32, 50-400 μg mL-1
and the detection limits were 0.193, 22.60 μg mL-1 for both methods respectively.
Statis
An interpretative study of the two-dimensional seismic data of the Afaq area was conducted using the Petrel 2017 software. 2D seismic reflection sections are used to give a structural interpretation of Afaq structure based on synthetic seismogram and well log data. Three reflectors, Zubair, Yamama, and Gotina Formations, were selected. These reflectors are defined from well west kifl (wk-1), Where located adjacent to the study area. Structural maps of the Zubair, Yamama, and Gotnia formations are prepared and interpreted, including TWT maps, Average velocity maps, and depth maps. The studies concluded that the Afaq structure area does not contain main faults, but secondary faults with short and limited extensions
... Show MoreThe pretreatment process can be considered one of the important processes in wastewater treatment, especially coagulation process to decrease the strength of many pollutants. This paper focused on using powdered date seeds as natural coagulant in addition to chemical coagulants (alum and ferric chloride) to find the optimum dosage of each coagulant that makes efficient removal of turbidity and chemical oxygen demand (COD) from domestic wastewater as a pretreatment process, then finding the optimum combined dosages of date seeds with alum, date seeds with ferric chloride that make efficient removal for both pollutants. Concerning turbidity, the optimum dosage for date seeds, alum and ferric chloride were 40 mg/l (79%), 70
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