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 order to reduce the losses due to evaporation in the stored crude oil and minimizing the decrease in °API many affecting parameters were studied (i.e. Different storage system, namely batch system with different types of storage tanks under different temperatures and:or different pressures). Continuous circulation storage system was also studied. It was found that increasing pressure of the inert gas from 1 bar to 8 bar over the surface of the crude oil will decrease the percentage losses due to evaporation by (0.016%) and decrease the change of °API by (0.9) during 96 hours storage time. Similarly using covering by surfactant (potassium oleate) or using polymer (polyurethane foam) decreases the percentage evaporation losses compare
... Show MoreThe aim of the research is to identify the attitudes of Iraqi youth
towards volunteering work by using the survey method and the scale
tool to identify what young volunteers can carry from the attitudes
towards volunteering work because the phenomenon of volunteer
work is of great importance in society. The scale was applied to
(525) volunteers among Iraqi youth. The research reached a set
of results, the most prominent of which is the existence of positive
trends among young people towards volunteering work, meaning
that Iraqi youth volunteers have awareness of the concept of
volunteering correctly. As for their goals of volunteering, they are
humanitarian and social goals for the advancement of society, an
This conducted research, (The Scientific Efforts of Ahmed Mustafa Al-Maraghi) deals with Al-Maraghi's life, birth, upbringing, characteristics, title, family and religion secter, as well as his general biography. And his relationship with scholars, his learning and teaching, and the introduction of the Muhammed Abdo School and the College of Dar Al Uloom, and finally the discussion of his scientific, social and political poin of view, as an interpreter of twentieths century, was appointed as the president of Al-Azhar and Ifta during the days of the royal era, and he studied at the College of Dar Al-Uloom
Background: Goiter is one of the most common conditions that affect people’s at different age groups with its effect on the metabolic status of the body through the hyper&/hypo functioning gland that may needs surgical resection. This prospective study had been conducted on 100 patient (85 females&15 males} at the specialized center for endocrinology and diabetes mellitus in Baghdad city, between Jan.2013-Oct.2014;Their ages were ranging between 11-75 years ; the median age is (40.5 years) .Objectives: define the clinic-pathological pattern of goiter in the center .Methods: This is a prospective study at the specialized center for endocrinology & diabetes in Baghdad at ALRissafa district; including 100 patients (84 f
The nuclear structure of some cobalt (Co) isotopes with mass number A=56-60 has been studied depending on the effect of some physical properties such as the electromagnetic properties effects, such as, elastic longitudinal form factors, electric quadrupole moments, and magnetic dipole moments. The fp model space is used to present calculations using GXFP1 interaction by adopting the single particle wave functions of the harmonic oscillator. For all isotopes under consideration, the 40Ca nucleus is regarded as an inert core in fp model-space, while valence nucleons are moving through 1f7/2, 2p3/2, 1f5/2, and 2p1/2 orbits. The effects of core-polarization are obtained by the first orde
... Show MoreIn this paper, we will discuss the performance of Bayesian computational approaches for estimating the parameters of a Logistic Regression model. Markov Chain Monte Carlo (MCMC) algorithms was the base estimation procedure. We present two algorithms: Random Walk Metropolis (RWM) and Hamiltonian Monte Carlo (HMC). We also applied these approaches to a real data set.
The neighbourhood unit is a small local community in a city dwelled by certain number of dwellers who are characterized by common features, mostly economic. They daily deal with each other & unified with the feeling of neighbourhood. The daily primary services are available in this small community (like education, shopping & entertainment). This community is separated from other communities by physical boundaries like streets, gardens… etc. The neighbourhood is not an exotic notion on human community but it is as ancient as history itself since it was there in ancient communities that dwelled on earth. Complications of urban life needs, caused by cities’ expansion, and the weakness of social relationships, imposed phy
... Show MorePraise be to Allah, Lord of the Worlds, and peace and blessings be upon our master Muhammad and his good and pure family. At the end of this research, we summarize some of the most important findings of our research, namely:
Raising a child properly from childhood leads to integrity in the life of the individual society, and if the young raised bad education, this education will affect itself and society negatively, so on parents and government institutions in any country to take care of children, and Islamic countries Specifically to give the child great attention; he is raised on the Koran and watered from its fountains, and armed with a weapon of morality from a young age, and to understand the biography of Mustafa (peace be upon h
The population density of the insect on Alorat and fruits located in the lower part of the tree more than the middle part of the plant and insect in one place and demonstrates that there is a nest there were conducted laboratory and field studies on citrus Hsasahanwaa and the Alvdaúaa distribution of cortical insect yellow ....