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.
Abstract
These experiments seek to investigate the effects of the fixed variations to the basic box plot on subjects' judgments of the box lengths. The study consists of two experiments, were constructed as an extension to the experiments carried out previously by Hussin, M.M. (1989, 2006). Subjects were asked to judge what percentage the shorter represented of the longer length in pairs of box lengths and give an estimate of percentage, one being a standard plot and the other being of a different box length and also varying with respect to other elements such as, box width or whisker length. When he (1989) suggested in the future research points (1, 2), the changing length of the st
... Show MoreLet be a module over a commutative ring with identity. Before studying the concept of the Strongly Pseudo Nearly Semi-2-Absorbing submodule, we need to mention the ideal and the basics that you need to study the concept of the Strongly Pseudo Nearly Semi-2-Absorbing submodule. Also, we introduce several characteristics of the Strongly Pseudo Nearly Semi-2-Absorbing submodule in classes of multiplication modules and other types of modules. We also had no luck because the ideal is not a Strongly Pseudo Nearly Semi-2-Absorbing ideal. Also, it is noted that is the Strongly Pseudo Nearly Semi-2-Absorbing ideal under several conditions, which is this faithful module, projective module, Z-regular module and content module and non-si
... Show MoreThe concept of the Extend Nearly Pseudo Quasi-2-Absorbing submodules was recently introduced by Omar A. Abdullah and Haibat K. Mohammadali in 2022, where he studies this concept and it is relationship to previous generalizationsm especially 2-Absorbing submodule and Quasi-2-Absorbing submodule, in addition to studying the most important Propositions, charactarizations and Examples. Now in this research, which is considered a continuation of the definition that was presented earlier, which is the Extend Nearly Pseudo Quasi-2-Absorbing submodules, we have completed the study of this concept in multiplication modules. And the relationship between the Extend Nearly Pseudo Quasi-2-Absorbing submodule and Extend Nearly Pseudo Quasi-2-Abs
... Show MoreLet be a module over a commutative ring with identity. In this paper we intoduce the concept of Strongly Pseudo Nearly Semi-2-Absorbing submodule, where a proper submodule of an -module is said to be Strongly Pseudo Nearly Semi-2-Absorbing submodule of if whenever , for implies that either or , this concept is a generalization of 2_Absorbing submodule, semi 2-Absorbing submodule, and strong form of (Nearly–2–Absorbing, Pseudo_2_Absorbing, and Nearly Semi–2–Absorbing) submodules. Several properties characterizations, and examples concerning this new notion are given. We study the relation between Strongly Pseudo Nearly Semei-2-Absorbing submodule and (2_Absorbing, Nearly_2_Absorbing, Pseudo_2_Absorbing, and Nearly S
... Show MoreThe leaves of globe artichoke, Cynara scolymus Family Asteraceae/ compositea have long – used in traditional medicine and now included in British and European Pharmacopeia, the British Harbal Pharmacopeia and complete German Commission E monographs.The plant originally comes from Mediterranean region and North Africa and cultivated around the world. The flowers are used worldwide for nutrition purposes and the leaves for medical purposes including hepatic affections. The plant wildly distributed in Iraq in the watery lines and boundary of the field.The plant contains many phytochemicals such as the bitter phenolic acids whose choleretic and hypocholestremic as these compounds are antioxidant. Other materials to h
... Show MoreThe new tridentate Schiff base ligand (HL)namely 2-{[1-(3-amino-phenyl)-ethylidene]-hydrazono methyl}- phenol containing (N N O)as donors atoms was prepared in two steps:Step (1): By the reaction of 3- aminoacetophenone with hydrazine monohydrate under reflux in methanol and drops of glacial acetic acid gave the intermediate compound 3-(1- hydrazono ethyl)-phenol amine.Step (2): By the reaction of 3-(1-hydrazono ethyl)-phenol amine with salicyaldehyde under reflux in methanol, gave the ligand (HL).The prepared ligand was characterized by I.R, U.V-Vis,1H- 13C NMR spectra and melting point and reacted with some metal ions under reflux in methanol with (1:1) ratio gave complexes of the general formula: [MClL]. Where: M= Mn(II), Fe(II), Co(II),
... Show MoreThis article includes designed and synthesized for bent-shaped liquid crystal molecules starting from 5,5-diethylpyrimidine-2,4,6(1H,3H,5H)-trione and two moles of chloroacetylchloride in N, N-dimethyl formamide (DMF) and triethylamine (TEA) to product compound [I] ,then reacted the later compound with two moles of 4-hydroxybenzonitrile to yield nitrile compound [II]. Likewise, reaction 5,5-diethylpyrimidine-2,4,6(1H,3H,5H)-trione and two moles of ethylchloroacetate with fused sodium acetate in ethanol to create an ester compound [III], and then the later compound was reacted with two moles of hydrazine hydrate in ethanol to obtained hydrazide acid compound [IV]. After that, the compound [IV] reacted with two moles of ethyl acetoacetate in
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