Accurate description of thermodynamic, structural, and electronic properties for bulk and surfaces of ceria (CeO2) necessitates the inclusion of the Hubbard parameter (U) in the density functional theory (DFT) calculations to precisely account for the strongly correlated 4f electrons. Such treatment is a daunting task when attempting to draw a potential energy surface for CeO2-catalyzed reaction. This is due to the inconsistent change in thermo-kinetics parameters of the reaction in reference to the variation in the U values. As an illustrative example, we investigate herein the discrepancy in activation and reaction energies for steps underlying the partial and full hydrogenation of acetylene over the CeO2(111) surface. Overall, we find that both activation and reaction energies positively correlate with the increase in the U value. In addition to benchmarking against more accurate theoretical methodologies, we suggest that U values are better optimized against kinetics modelling of experimentally observed profiles of products from the catalytic-assisted system of reactions.
The relationship between costs of environment and costs of product life – cycle. Boubtlessly when the economical unit exercise their productive works, they lead to pollution in water, air and soil as well as all stages of product life- cycle from Rans Dstage, production stage, packaging stage and finally abandonment stage- Pollution causes environmental costs. Lgnoring or hiding environmental costs and no taking them in consideration with product cost lead to a wrong account of preduot cost.
Therefore, environmental costs should be included and matched for all stages with in product costs to know which activities, processes
... Show MoreThe research dealt with the reservoir division for Upper Shale Member from Zubair formation in Luhais field, Where it was divided into six units of reservoir and non-reservoir, including the main reservoir unit 1C, which is the subject of research in this study, and studied in terms of thickness and lithology.
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... Show MoreThe research involved attempt to inhibit the corrosion of Al-Si-Cu alloy in 2.5x10-3 mol.dm-3 NaOH solution (pH=11.4) by addition of six different inhibitors with three concentrations (1x10-3, 1x10-2, and 0.1 mol.dm-3). These inhibitors include three organic materials (sodium acetate, sodium benzoate, and sodium oxalate) and three inorganic materials (sodium chromate, disodium phosphate, and sodium sulphate). The data that concerning polarization behaviour are calculates which include the corrosion potential (Ecorr) and current density (icorr), cathodic and anodic Tafel slopes (bc & ba), and polarization resistance (Rp). Protection efficiency (P%) and activation energy (Ea) values were calculated for inhibition by the six inhibitors. The
... Show MoreStudies of three surface sections of the Euphrates Formation in its type locality Western Iraq, yielded a rich benthic foraminifera. Tabulation of the results showed more or less similar content which are previously studied except for the presence for the first time of Triloculina trigonula Lamark, Triloculina tricarinata D'orbigny in the lower parts and Spirolina cf. cylindracea Lamark in the upper parts. In addition two Biozone established in the studies sections, the lower Ammonia beccarii zone and upper Ammonia beccarii-Borelis melo curdica zone
Mapping groundwater quality Index for irrigation is of great importance for agricultural issues. As groundwater is a vital source of water for domestic and agricultural activities in Iraqi Western Desert area, where the study area (Dibdibba aquifer) represents the extreme eastern part of it, evaluation of groundwater quality and its suitability for irrigation is important. This study aims to develop decision support tools for identifying the optimal locations of groundwater regarding its quality to meet the future demands of the study area. Samples were collected during the wet season (April-May 2017 (and analyzed for determining the physicochemical properties. The indices used in the quality assessment were the sodium adsorption r
... Show MoreFilled the place thought philosophers and ancient is the identity that you know The value of belonging to a World Geography existential - the spiritual , and Which is characterized by the structure humanity from one another and the Rest of the organisms they interact with him alone by environmental Conditions - surrounding has to achieve time through continuous movement Localized or comprehensive . The place is exemplified by making special Natural Great Creator, I believe making structure humanity combined - Individual interactive because of its influential role in all daily consumer Productions and creative arts, specifically drama's TV , because the place in Aesthetic discourse - TV drama directly affect the creating and building the
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Communication attribution is a condition of the validity of the hadeeth and that each narrator heard from his Sheik.There are some of the narrators who said to hear who told him and his contemporary, and this narrator is also innocent of the stigma of fraud, but this hearing has no truth.
The importance of the study, which is how to use these exercises with the device in rehabilitating the flabby muscles after childbirth, which is a problem found in our society and in need of high education on it because the form of exercises does not need places designated for training such as halls or fitness halls, especially since the social woman has limited movement in which we see the responses Physiology in different ways, the woman’s body is not only subject to the day’s need for work or the need to complete hours of physical training, but she has feminist components that she must overcome, whether it is physiological or otherwise.The research sample was determined by the intentional method available from women whose age
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