Chlorinated volatile organic compounds (CVOCs) are toxic chemical entities emitted invariably from stationary thermal operations when a trace of chlorine is present. Replacing the high-temperature destruction operations of these compounds with catalytic oxidation has led to the formulation of various potent metal oxides catalysts; among them are ceria-based materials. Guided by recent experimental measurements, this study theoretically investigates the initial steps operating in the interactions of ceria surface CeO2(111) with three CVOC model compounds, namely chloroethene (CE), chloroethane (CA) and chlorobenzene (CB). We find that, the CeO2(111) surface mediates fission of the carbon–chlorine bonds in the CE, CA and CB molecules via modest reaction barriers. As a result of localization of excess electrons left behind after creation of oxygen vacancies, analogous fission over an oxygen vacant surface systematically necessitates lower energy barriers. Dehydrochlorination of CE and CA molecules preferentially proceeds via a dissociative addition route; however, subsequent desorption of vinyl and ethyl moieties requires less energy than surface assisted β C–H bond breakage. The profound stability of hydrocarbon species on the surface contributes to the observed deactivation of ceria at temperatures as low as 580 K under pyrolytic conditions. Adsorption of an oxygen molecule at an oxygen vacant site initiates decomposition of the adsorbed phenyl moiety. Likewise, adsorbed surface hydroxyl groups serve as the hydrogen source in the observed conversion of CB into benzene. A plausible mechanism for the formation of 1,4-dichlorobenzene incorporates abstraction of a para hydrogen in the CB molecule by an O− surface anion followed by chlorine transfer from the surface. Plotted conversion–temperature profiles via a simplified kinetic model against corresponding experimental profiles exhibit a reasonable agreement. The results from this study could be useful in the ongoing efforts to improve ceria's catalytic capacity for destroying CVOCs.
The manufacturing industry in Iraq has faced, during the time stages, several obstacles that have had devastating effects on the Iraqi economy. These obstacles are represented by political events and wars that have led to the depletion of most human and material resources and the suspension of most vital industrial facilities from working, And the occurrence of this major deviation in the process of economic development, For the same reasons, the contributions of the manufacturing sector to the gross domestic product varied fluctuatingly, indicating instability in the growth rates of this sector, On the other hand, the supremacy of the belief that the dominance of oil resources as a main source for creating economic growth and achieving a h
... Show MoreWith the narratives and sayings in the biography of the Prophet and the science of the Koran, Orientalists used this case as a pretext to distort the biography of the Prophet and his character and patience for his call. Researcher in the folds of his research.
The experiment was conducted in field of the University of Baghdad, Jadryia region, Baghdad to measure vibration and performance efficiency of grass mower (machine cutting grass). Vibration in three axes are longitudinal X , lateral Y and vertical Z in four places of mower machine during cutting grass and Practical Productivity, Efficiency and Fuel Consumption measured in this experiment . Factorial design (3 x 2) used, mower speeds included 1.9 3.6 and 6.4 km/hr and engine load included idling and full load according to randomized complete design were used in this experiment. Least Significant Design (LSD) 0.05 was used to compare the mean of treatment. Result were showed that the mower speed 6.4 km/hr recorded high productivity (0.6557 ha
... Show MoreIn this paper a new series of morpholine derivatives was prepared by reacting the morpholine with ethyl chloro acetate in the presence triethylamine as a catalyst in benzene gave morpholin-N-ethyl acetate(1) which reacted with hydrazine hydrate in ethanol, and gave morpholin-N-ethyl acetohydrazide (2) . Morpholin-N-aceto semithiocarbazide (3) were prepared by reacting compound(2) with ammonium thiocyanate , concentrated hydrochloric acid and ethanol as a solvent .Compound (3) reacted with sodium hydroxide and hydrochloric acid to give 5-(morpholin-N-methylene)-1H-1,2,4-triazole-3-thiol (4) .The new series of 1,2,4-triazol derivatives (5-8) was synthesized by reaction of compound(4) with formaldehyde , DMF as a solvent and different
... Show MoreIn this paper, we will discuss the performance of Bayesian computational approaches for estimating the parameters of a Logistic Regression model. Markov Chain Monte Carlo (MCMC) algorithms was the base estimation procedure. We present two algorithms: Random Walk Metropolis (RWM) and Hamiltonian Monte Carlo (HMC). We also applied these approaches to a real data set.
Given the importance of the phenomenon of bullying and its spread in the productions of animated films and the resulting impact on them, and the dominance of a large number of satellite channels that simulate different age stages and for both sexes. It is bullying others and their imitation of characters inspired by animated films with aggressive behavior that appears in them by imposing his authority by force on those who are weaker than him and in various methods that fall within the concept of bullying, and the interest of most satellite channels in this type of production that simulates different age groups, this research comes as an attempt A scientific method through which the researcher seeks to know the issue of the dramatic cons
... Show MoreThe predisposing factors and their effect on the increasing of vulvovaginal Candidiasis have been studied in this research. The result indicated that the highest of infection with vaginal Candidias was in the age of women with age of (21-30years) with vaginal itching and discharge, also the results revealed that the pregnancy was the main predisposing factor. The percentage of the infected pregnant Ladies was 33.7% followed by the women who used the IUCD and OCP 22.1%, those who used steroids 5.2% comparing with control women (without predisposing factors).The results also indicated that the most cases of infection were during the third trimester of pregnancy (where the rate of infedion) was 53.9%.-OCP- Oral Contraceptive Pills-IUCD- Intrr
... Show MoreIn the present study, new five polymers of acryloyl chloride have been synthesized by reaction 4-aminoantipyrine with many substituted acid chloride (A-E). Then condensation of polyacryloyl chloride with the product in one step (A-E), in a suitable solvent in the presence amount of (Et3N) to obtain new polyimides(A1-E5). The prepared compounds were characterized by UV. FT-IR, 1H-NMR and 13C-NMR spectroscopy and measuring of other physical properties such as softening point, melting point and solublities.
This conducted research, (The Scientific Efforts of Ahmed Mustafa Al-Maraghi) deals with Al-Maraghi's life, birth, upbringing, characteristics, title, family and religion secter, as well as his general biography. And his relationship with scholars, his learning and teaching, and the introduction of the Muhammed Abdo School and the College of Dar Al Uloom, and finally the discussion of his scientific, social and political poin of view, as an interpreter of twentieths century, was appointed as the president of Al-Azhar and Ifta during the days of the royal era, and he studied at the College of Dar Al-Uloom
The visual stimulus is the effective force in visual attraction that achieves visual and perceptual co-optation and is important in wooing the recipient, and many procedural processes in the design are interpreted on it as the visual stimulus achieves visual comfort and a sense of pleasure and gives (place) the interior space a transformation in its plastic structure as well as arousing attention through The kinetic rhythm and the formal diversity, which increases the possibility of breaking the routine and traditional constraints of design patterns through the coating and encapsulation of the vertical and horizontal levels . Thus, the research problem was launched based on the following question: What are the stimuli of the visual stimu
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