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 paper aims to calculate the petrophysical properties in the Al-Ahdab field in the middle of Iraq within the Mauddud Formation. This study was based on the information available from well logs. The interactive petrophysical software IP (V4.5) was used to calculate the porosity, hydrocarbon saturation and shale volume, divide the formation into reservoir units and buffer units, and evaluate these units in each well. The Mauddud was divided into five units, two of them were considered good reservoirs having good petrophysical properties (high porosity, Low water saturation, and low shale volume). The other three are not reservoirs because of poor petrophysical properties.
The Yamama Formation is characterized by a wide geographic extension of southern Iraq. Microfacies analysis of this formation was studied in six wells distributed in six fields: Fayhaa, Sindbad, Siba, Zubair, Ratawi and West Qurna. This research aims to determine paleoenvironments by diagnosing biofacies and lithofacies. Miscellaneous marine fauna of foraminifera and calcareous algae, mainly green algae (dasycladacean.) and skeletal bioclasts from gastropods, pelecypods, bryozoans, sponge spicules, and echinoderms were found. Petrographic studies and well logs interpretations led to the identification of five main Microfacies ( Mudstone, Wackestone, Packestone, Grainestone and Rudstone and twelve submicrofacies (Foraminiferal-
... Show MoreThe subject of dumping is considering today one of the subjects in which form an obstruction arise in front of the cycle of growth for some countries , such as the study of dumping is capturing a large attention by the competent because either a big role and effect in growing the economies of nations then the subject of dumping became a field turn around its sides many measures and laws … and may be done resorting to by many states of the world to anti-dumping as approach of determent weapon delimit the impact of dumping and gives the national agriculture sector the opportunity for rising and growing so this section of international economics is capturing a special importance and represent in same time an important
... Show MoreDue to severe scouring, many bridges failed worldwide. Therefore, the safety of the existing bridge (after contrition) mainly depends on the continuous monitoring of local scour at the substructure. However, the bridge's safety before construction mainly depends on the consideration of local scour estimation at the bridge substructure. Estimating the local scour at the bridge piers is usually done using the available formulae. Almost all the formulae used in estimating local scour at the bridge piers were derived from laboratory data. It is essential to test the performance of proposed local scour formulae using field data. In this study, the performance of selected bridge scours estimation formulae was validated and sta
... Show MoreThe Pila Spi Formation (middle – late Eocene) was studied in terms of field character, Petrography and geochemistry from two outcrops (Bakhar and Bani bawy) sections, Northern Iraq. The field studies showing massive, lithified limestone to marly limestone high effected by dolomitization. The petrography studies shows that most of the skeletal grains was destroyed due to digenetic processes specifically the dolomitization, and the vast majority of carbonate rocks are mudstone and few beds of wackestone. The geochemical study reveals low CaO% and high MgO% content due to the intense effect of dolomitization, and the carbonate rocks was classified as impure limestone generally of slightly calcareous dolomite. Ca/Mg and Sr/Ca ratios have b
... Show MoreFemale infection with HPV (human papilla virus) has been established as an essential cause of CIN (cervical intraepithelial neoplasia). The danger of transformation from CIN to frank malignancy should be considered. Objective: The goal of this study is to evaluate the effectiveness of CO2 laser vaporization of ectocervical lesion high grade squamous intraepithelial lesion (HGSIL). Patients and Methods: Four Female out of 150 affected with HGSIL lesions were submitted to CO2 laser vaporization and followed up in 4 months later, and 10 women with HGSIL lesion submitted to electrocautery diathermy for the comparison. Results: Among women treated by CO2 laser vaporization, 3 women had negative results (clear cervix), at 4 months follow up; o
... Show MoreWe have synthesized many metal (II) complexes using curcumin L1 as the major ligand and 2-(1H-Benzimidazol-2-yl) aniline L2 as a supporting ligand. The complexes were characterized by spectroscopy methods such as; molar conductivity, elements microanalysis, Fourier-transform spectroscopy (FT-IR), UV-vis, and mass spectroscopy. Both curcumin ligands and L2 were found to be capable of binding to M(II) and metal ions via their two N atoms, according to the data. The formula for the complexes is the same. [M (L1)(L2)H2OCl], where M is Ni(II), Co(II), Cu(II), Cd(II), and Hg(II) (II). Octahedral complexes are proposed for the prepared compounds. The bio-actives suggested that the complexes are effective against bacteria and fungus on a mi
... Show MoreA new ligand [3(3(2chloroacetyl) thioureido)pyrazine-2-carboxyliIcacid](CPC)was synthesized by reaction of rized by imicro elmental analysis C.H.N.S.,FT-IR,UV-Vis and 1H-13CNMR spectra, some transition metals complex ofIthis ligand were Prepared and characterized byiFT-IR,UV-Vis spectra conductivity measurements magnetic susceptibility and atomic absorption. From the obtained results the molecular formula of all prepared complexes were[M(CPC)2](M+2i=Mn. Co, Ni, Cu, Zn, Cd and Hg),the proposedi geometrical structure for all complexes were as tetrahedral geometry except copper complex has square planer geometry.
The aim of this study is the determination of the anti-adhesion activity of active compounds extracted from plants in the inhibition of adhesion ability of C. albicans that is used as a virulence factor for infection. Adherence to host surfaces is a primary factor in the colonization of human tissues by fungi, which can also adhere to the surfaces of medical devices and form biofilms. Medicinal plants possess therapeutic properties or beneficial pharmacological effects on the body. A total of one hundred samples were collected from female patients with vaginal infection in two hospitals in Baghdad city for three months. The fungi were isolated and identified by microscopic morphology, morphological features on culture media, and
... Show MoreIn this work, some new pyrazole derivatives were prepared through the reaction of the diazonium salt of metoclopramide with acetylacetone to give 5-chloro-N-(2-(diethylamino)ethyl)-4-((2,4-dioxopentan-3-yl) diazenyl)-2-methoxybenzamide (1) in 80% yield. Compound 1 was then reacted with some hydrazine derivatives to afford the corresponding pyrazole derivatives in 75-93% yields. Some new azo compounds (6-10) were also prepared in 77-95% yields by treatment of the diazonium salt of metoclopramide with some phenol and aniline derivatives. The prepared compounds were characterized using FT-IR and 1H NMR spectroscopy. Some of these compounds were
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