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.
(1)
(1)
There is of great importance to know the values of the optical constants of materials due to their relationship with the optical properties and then with their practical applications. For this reason, it was proposed to study the optical constants of amorphous silicon nanostructures (quantum well, quantum wire, and quantum dot) because of their importance in the world of optical applications. In this study, it was adopted the Herve and Vandamme (HV) model of the refractive index because it was found that this model has very good optical properties for almost all semiconductors. Also, it was carried out by applying experimental results for the energy gaps of these three nanostructures, which makes the results of the theoretical calculations
... Show More
In contrast to the classical antibacterial sulfa drugs that are unsubstituted or monosubstituted, our newly synthesized analogs were designed to obtain sulfonamide moiety containing disubstituted hetero nitrogen atom. These compounds were formed successfully by chlorosulfonation of acetanilide and the product was treated with different cyclic amines and finally amide hydrolysis was necessary to get agents that were analyzed for IR, UV, CHN, melting points and solubility. At last, we studied their antibacterial activity on certain types of bacteria and we noticed the inactivity due to possible steric factor. Principly, this means these products have no inhibiting action against the used microbes.
As modern radiotherapy technology advances, radiation dose and dose distribution have improved significantly. As part of a natural evolution, there has recently been renewed interest in therapy, particularly in the use of heavy charged particles, because these types of radiation serve theoretical advantages in all biological and physical aspects. The interactions of alpha particle with matter were studied and the stopping powers of alpha particle with Breast Tissue were calculated by using Beth-Bloch equation, Zeigler's formula and SRIM software, also the Range and Liner Energy Transfer (LET) and Breast Thickness As well as Dose and Dose equivalent for this particle were calculated by using Mat lab language for (0.01-200) MeV alpha ene
... Show MoreThe expressive speech in the art of acting is considered to be the leading action for thinking and the interior interaction of the individual, in the organization of his relationship with the elements of the environment and its content, and the more acquired the individual's performance today skills in organizing and export of his conflicts and natural occasions , whenever , becomes more adaptable and an interpreted physically and acoustically inside pluralities in personalities, suited to the modern age. This research has addressed a range of topics related to expressive speech in the art of acting, since the first chapter included a systematic framework of the research, represented by the problem , the importance and aims of research t
... Show More
This work is focused on the design parameters and activity of artificial human finger for seven grips. At first, obtained the ideal kinematics of human fingers motion by analyzing the grips video which were recorded using a single digital camera recorder fitted on a tripod in sagital plane while the hand is moving. Special motion analysis software (Dartfish) the finger joint angles were studied using the video recording. Then the seven grips were modeled using static torque analysis, which calculates the amount of torque applied on the fingers joint grip depending on the results of the kinematic analysis. The last step of the work was to design the actuator (Muscle Wire) of artificial finger for the seven grips in a simple design approac
... Show MoreThe research aims to identify the social control among kindergarten department students. In order to achieve the objective of the research, a sample of (400) female students: (200) from Baghdad University / Faculty of Education for women and (200) from Mustansiriyha University / Faculty of Basic Education were chosen randomly.
The researchers designed a tool to measure the social control of the study sample. It was exposed to group of specialists in the educational and psychological sciences, measurement and evaluation. In addition to specialists in kindergartens. Two indicators of validity were used. The Alpha-Cronbach method, Pearson correlation coefficient, and independent samples t-test were used to analyze the c
... Show MoreBackground: Intestinal infections are frequently occur among children with cancer who receive chemotherapy. On the other hand, diarrhea is especially common and severe among cancer patients that develop neutropenia, either due to the disease itself or due to the intensive chemotherapy. There are many causes of diarrhea among those patients, but intestinal infections still an important etiology among them.
Objectives: to study the frequency of diarrhea among neutropenic children, with its infectious etiologies, especially the bacterial, fungal and parasitic causes.
Type of the study:Cross-sectional study.
Methods: the study was done in the Oncology
... Show More
(2)
Most heuristic search method's performances are dependent on parameter choices. These parameter settings govern how new candidate solutions are generated and then applied by the algorithm. They essentially play a key role in determining the quality of the solution obtained and the efficiency of the search. Their fine-tuning techniques are still an on-going research area. Differential Evolution (DE) algorithm is a very powerful optimization method and has become popular in many fields. Based on the prolonged research work on DE, it is now arguably one of the most outstanding stochastic optimization algorithms for real-parameter optimization. One reason for its popularity is its widely appreciated property of having only a small number of par
... Show More
(7)