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 use of varied quantities of orphenadrine to protect stainless steel against corrosion in an acidic media at 298 K has been investigated. It was observed that when the drug's concentration is increased, the drug's speed of corrosion lowers. The data of inhibition efficiency (percent IE) in the presence of orphenadrine drug and corrosion resistance showed that the highest protection efficiency was achieved with the best concentration, and that the corrosion rate decreased with increasing orphenadrine drug concentrations, making it a good inhibitor for stainless steel in an acidic environment. The theoretical investigation proved the efficiency of the drug for inhibition, as the drug is absorbed on the surface of the stainless st
... Show MoreDirectional Compact Geographic Forwarding (DCGF) routing protocol promises a minimal overhead generation by utilizing a smart antenna and Quality of Service (QoS) aware aggregation. However, DCGF was tested only in the attack-free scenario without involving the security elements. Therefore, an investigation was conducted to examine the routing protocol algorithm whether it is secure against attack-based networks in the presence of Denial-of-Service (DoS) attack. This analysis on DoS attack was carried out using a single optimal attacker, A1, to investigate the impact of DoS attack on DCGF in a communication link. The study showed that DCGF does not perform efficiently in terms of packet delivery ratio and energy consumption even on a sin
... Show MoreQuantitative and qualitative composition of benthic invertebrate communities was studied during the period from January to December2012 at four stations that were selected on the Tigris River at Baghdad Province. One of the stations S2 located near Al-Rasheed Power Plant (RPP) to represent the ecological features of the plant site, whereas other stations, S1 were located at the upstream of the RPP as a control station to investigate the ecological characters of the Tigris River. Moreover, the two other stations S3 and S4 were located down to the impact of RPP to reflect the possible effects of the plant on the ecology of the river by comparison with the control stations. The present study recorded 44 taxa belong to 4 o
... Show MoreThe current study was conducted to study some certain quantities of dates , apple and white vinegar. It was noticed that the percentage of acetic acid was (3.6%, 4.5%, 2.7%), for each and respectively, it was found that vinegar has an inhibiter biological activity against bacteria isolated from rectal fistula inflammation cases. It was also noticed that vinger types have ability to increase healing anus fistula and show no toxicity on laboratory mice.
In this work, corrosion parameters were evaluated using potentiodynamic polarization curves. In order to determine corrosion parameters of potential and current density of the interesting metal, carbon steel, environmental conditions of external corrosion of buried carbon steel pipeline in Iraqi soil were prepared in the laboratory using simulated prepared conditions. Solutions of sodium chloride at different concentrations (300, 1100, 1900, 2700, and 3500 ppm) were used. pH of solution were acidic at pH =5, and alkaline at pH = 9. Laboratory conditions were similar to those of Iraqi soil where the pipelines were buried. Temperature was constant at 20 °C. Potentiodynamic polarization curves, of potential vs. log current density, were ob
... Show MoreThe location of the study area is surging hills in Bongomene area, Gorontalo, Indonesia. In this study, a geological survey and sampling were taken, and then an analysis of the content of benthic foraminifera was performed in each sample. The study aims to discover the species of benthic foraminifera fossils and to determine the paleobathymetry to the studied regions. The results of the analysis contained seven fossils species, namely Ammomassilina alveoliniformis, Stelligerum astrononion, Haynesia germanica, Nonion fabum, Praeglobobulimina ovata, Rhabdammina discreata and Saccorhiza ramosa. Based on the content of benthic foraminifera fossils, paleobathymetry is determined as Middle Shelf to Outer
... Show MorePricing has an important position among the elements of marketing mixture (4ps) as it represents revenues that in turn represent one of the important pillars' for resources affecting on organizations sustainability and development , and the failure in determining prices and their strategies has a dangerous effect on the organizations reality and future as a whole . from this point, this is what from the focus of the research problem,which centered on how to get companies to critical price that satisfies customers and achieve corporate objectives.
... Show MoreThe research aims mainly to the role of the statement style costs on the basis of activity based on performance (PFABC) to reduce production cost and improve the competitive advantage of economic units and industrial under the modern business environment dominated by a lot of developments and changes rapidly, which necessitates taking them and criticize them to ensure survival and continuity. The research problem is the inability of traditional cost methods of providing useful information to the departments of units to take many administrative decisions, particularly decisions related to the product and calculating the costs of the quality of the sound and the availability of the need and the ability to replace methods capa
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