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.
This research studies the petrography, mineralogy and diagenetic history of the Sarmord Formation at Sulaimani and Erbil Governorates in Northeastern Iraq. The Sarmord Formation consists mainly of alternated yellowish to bluish gray bedded marly limestone with yellowish gray soft marl beds. Petrographic investigations of the marly limestones were based on 270 thin sections and show that the skeletal grains include bioclasts, foraminiferas, radiolarians, calcispheres, echinoderms, ostracods and cephalopods. The groundmass is composed of micrite with light brown to gray colors, rich in organic materials and iron oxides. The X-ray diffraction analysis of the marls revealed that the abundant clay minerals in the Sarmord Formation ar
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Coupling reaction of 4-aminoantipyrene with 8-hydroxyqunoline gave the new bidentate azo ligand 5-(4-antipyrene azo)-8-hydroxyqunoline. Treatment of this ligand with the following metals ions (MnII, CoII, NiII, CuII and ZnII) in aqueous ethanol with a 1:2 M:L ratio yielded a series of neutral complexes of the general formula [M(L)2Cl2]. The prepared complexes were characterized using flame atomic absorption, FT.IR, UV-Vis spectroscopic as well as magnetic susceptibility and conductivity measurements. Chloride ion content were also evaluated by (Mohr Method). From above data, the proposed molecular structure for these complexes as octahedral geometry.
The study aims to predict Total Dissolved Solids (TDS) as a water quality indicator parameter at spatial and temporal distribution of the Tigris River, Iraq by using Artificial Neural Network (ANN) model. This study was conducted on this river between Mosul and Amarah in Iraq on five positions stretching along the river for the period from 2001to 2011. In the ANNs model calibration, a computer program of multiple linear regressions is used to obtain a set of coefficient for a linear model. The input parameters of the ANNs model were the discharge of the Tigris River, the year, the month and the distance of the sampling stations from upstream of the river. The sensitivity analysis indicated that the distance and discharge
... Show MoreField studies of the slopes of Bammo anticline, in Northeast of Iraq, was carried out in five selects stations, where rock slopes and the discontinuities were surveyed in these stations and its relationships with failures were determined. The field work was revealed the abundance of rock slope failures, the dominant types are rock fall and toppling.
Slope stabili
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People who undertaken different X-ray examinations are already exposed to ionizing radiation which causes biological effects. Therefore assessing the patient radiation dose is a prerequisite element in optimizing the X-ray practice and to avoid the unnecessary radiation dose. The aim of this research is to assess the skin radiation dose for those patients who undertaking routine X-ray examinations in selected three hospitals in Al Najaf city.
Three X-ray units were involved in this experimental study; these were belonging to three hospitals in Al Najaf city-Iraq, namely Al-Sadder teaching hospital, Al-Hakeem general hospital and Al-Zahraa hospital. Data of exposure parameters (tube potential (kVp), tube c
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Background: Gasoline constituents and its derivatives had many hazardous effects on the general health of humans. Thus, gasoline stations workers may be affected by different types of related diseases.This study was conducted to assess selected salivary elements and their relation with dental caries, oral hygiene status and periodontal diseases among gasoline stations workers in comparison with individuals have no regular exposure to gasoline. Materials and methods: The study group consists of thirty male subjects with an age range (33-39) years who worked in different gasoline stations in different areas of Baghdad city and thirty persons that matching in age and gender and not exposed to gasoline were selected as a control group. Dental c
... Show MorePsychological aspects are a major influence and motivation factor in many cinematic and television works such as television series. There are many films that dealt with psychological issues through the personality affected by psychological projections and complexes that lead towards abnormal behavior and actions in most cases, so the researchers chose the title and the research problem was raised through the following question: What is the mechanism that fulfills a psychological role in the narrative film? The objectives of the research were to reveal the mechanism used to instill psychological contents in the feature film? As for the limits of the research, it was an intentional sample, and the researchers adopted the descriptive anal
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The Hartha Formation is a major carbonate succession deposited during the Late Campanian period. The current study depends on four selected wells (EB 1, 2, 4 and 30) within the East Baghdad oil field to study electrofacies and petrophysical properties related to the reservoir characterization.
The Hartha Formation is divided into three electro-facies units using GR and SP logs in Petrel software. The upper unit of the Hartha Formation is composed mainly of limestone. The middle unit is composing of thick layers of shale. The lower unit is composed mainly of limestone with few shale layers. The three units are divided into three types of rocks in relation to the total porosity: 1. High-moderate active porosity rocks (type I)
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The subject of demand on oil derivative has occupied an important position at present time in the daily life context. The fuel of benzene and gas oil and kerosene is one of basic elements of that concern, and on local , regional and international levels. The oil derivatives have played a leading role in determining the course and nature of development since early 1970 to the present time whether in the productive Arab countries or the importing. The researcher set out from the hypothesis that the increase of the local consumer demand on some of the oil derivatives is because of the internal and external factors accompanied by the inability of the productive capability and local production to confront this increase, and the resort
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A calamitic symmetric liquid crystalline consisting of an azo group containing 5H-Thiazolo[3,4-b][1,3,4]thiadiazole moiety compound[III] was synthesized via sequence reactions starting from reaction terephthaldehyde with mercaptoacetic acid and thiosemicarbazide in the presence of concentrated sulfuric acid to synthesized 5,5'-(1,4-phenylene)bis(5Hthiazolo[4,3-b][1,3,4]thiadiazol-2-amine)[I] then the azo compound [II] synthesized by coupling between diazonium salt of the compound [I] with phenol at (0-4) ̊C., after that the compound [III] was synthesized by the reaction of the compound [II] with methyl bromide in alkaline media. The compounds are characterized by melting points, FTIR and 1HNMR spectroscopy. The mesomorphic behavior was stu
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