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.
In this paper , we study some approximation properties of the strong difference and study the relation between the strong difference and the weighted modulus of continuity
Individual mobility is an outcome of the rapid changes in life; it is revealed in particular literary works within the end of the 19th century. Mobility is clearer in modern time as the individual has become physically freer in his movement. But the individual’s freedom is often conditioned by restrictions. Usually, change stimulates individuals to obtain new structure of feeling; the individual mocks or rages against institutions, or he would comply, suffering rapid personal deterioration as he faces effective stability or institutions. There is a continuous sense of “deadlock.” Sylvia Plath’s novel reflects the depression of an intellectual young woman who fails to find her right path muddled by an inconsistent, confusing
... Show MoreCilnidipine is a dihydropyridine calcium channel blocker used to improve the neurological outcome following subarachnoid hemorrhage. It belongs to BCS class II drugs that have a low oral bioavailability of 13%, thus preparation as nanoparticles would be expected to improve bioavailability. The aim of the study is to prepare Cilnidipine as nanoparticles using different carriers and co-carriers, concentrations, and types. Cilnidipine nanoparticles were prepared by a solvent anti-solvent method using different carriers (Soluplus®, Poloxamer 188, PVA cold) with co-stabilizers (PEG200, glycerol) at different ratios. Based on the obtained results, formula N4, which included Soloplus in a 5:5:1.19 weight ratio of drug to
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The summery of my research marked by the judges judgment with his knowledge, I dealt with the definition of the judiciary, linguistically and idiomatically, and the importance and ligitimcy of the judiciary, as the judiciary is one of the most importunt pillars of lslam,inwhich justice as it proves the truth to its owners.
numerical study is applied to the mercury-argon mixture by solving the boltzman transport equation for different mixture percentage.
The research consisted of four chapters, the first of which wasa methodological framework. The problem of research was determined by a question drawn up by the researcher as follows: What are the intellectual contents of science fiction films ?. The main objective of the research was to uncover the intellectual contents of contemporary science fiction films. The most important research terms (content, thought, ideology, science fiction, contemporary) were defined as either the second chapter (the theoretical framework) The second topic was entitled "The Intellectual Contents of Contemporary Science Fiction Films", in which the films of the science fiction and its current intellectual contents were discussed. The third topic included the
... Show MoreThe geomorphological importance of studying the alluvial fan derives from the fact that
in enables us to know the Origin and development of such a phenomenon which cover a vast
area in different regions.
This study tackles the geomorphological development of Badra alluvial fan through
knowing the factors of its origin, development, form and their present area, by using the
climate hydrological In formation besides using topographic Maps and changes detection for
different years (1973 - 2013) from satellite images
General Directorate of Surveying is considered one of the most important sources of maps in Iraq. It produced digital maps for whole Iraq in the last six years. These maps are produced from different data sources with unknown accuracy; therefore, the quality of these maps needs to be assessed. The main aim of this study is to evaluate the positional accuracy of digital maps that produced from General Directorate of Surveying. Two different study areas were selected: AL-Rusafa and AL-Karkh in Baghdad / Iraq with an area of 172.826 and 135.106 square kilometers, respectively. Different statistical analyses were conducted to calculate the elements of positional accuracy assessment (mean µ, root mean square error RMSE, mini
... Show MoreLanguage is the realistic and sensitive basis for any communication between two or more parties. It is an important workshop that prepares meanings and coding them according to a linguistic structure governed by agreed rules that speak to and coexist with everyone.
Whereas the forms of communication are: personal, mediator and mass, none of them can move away from language in their dealings and communication patterns. Since each has its own characteristics and skills, it must be launched in its fields through verbal and non-verbal symbols and wears the elements of influential language as intended.
It makes the recipient face two things: whether he fails to understand those symbols hence its purpose fail, or he meditates s
... Show MoreThat less duration takes larva mature into a virgin under field conditions is one day during Alguetrh from April to October and last longer to more than a day during Alguetrh from November to February and up to nine days in January when low minimum temperature to zero degreespercentage that these larvae can not be a high percentage in the field ranging from 90-100% reduced Hessian Alnsphaly 85% during the months of July and Cape