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.
his study aimed to investigate the usability of Recycled Concrete Aggregate (RCA) in warm mix asphalt (WMA) as the implementation of sustainable construction technology. Five replacement rates (0%, 25%, 50%, 75%, and 100%) were tested for the coarse fraction of virgin aggregate (VA) with 3 types of RCA: untreated RCA, HL-treated RCA, and HCL-treated RCA. Scanning electron microscopy (SEM) analyses were performed to investigate the surface morphology for both treated and untreated RCA. The optimum asphalt cement content for every substitution rate was determined using Marshall mix design method. Thereafter, asphalt concrete specimens were prepared using the optimum asphalt cement content, followed by the evaluation of their performance prope
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This research is an attempt to develop exercise with weights to strengthen some of the striking muscles in the shoulder and arm and to develop the accuracy of the smash and rectum skills. The importance of this paper lies in the study of moments of force to achieve the ability to control muscular work and to explore the impact of physical and skill exercises with weights to develop moments of force for some muscles. The experimental method on a sample of players, selected according to the intentional method, including ( 9) advanced players representing Air Force Club participating in the Premier League for season 2011-2012. It is concluded that the exercises proposed have their effective impact on developing the variables of moments force f
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For the most reliable and reproducible results for calibration or general testing purposes of two immiscible liquids, such as water in engine oil, good emulsification is vital. This study explores the impact of emulsion quality on the Fourier transform infrared (FT-IR) spectroscopy calibration standards for measuring water contamination in used or in-service engine oil, in an attempt to strengthen the specific guidelines of ASTM International standards for sample preparation. By using different emulsification techniques and readily available laboratory equipment, this work is an attempt to establish the ideal sample preparation technique for reliability, repeatability, and reproducibility for FT-IR analysis while still considering t
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Rooting response in stem cuttings of mung bean increased considerably with inresing
seedling age, due to endogenous IAA or supplied IBA. However, after the day 7- or 8-old of
seedling age. The cotyledons sheivel and drop-off spontaneously at day-8 of seedling age. So
that cotyledons excision after cuttings were made during the period between seedling
emergence (the day 4) and cotyledons dropping off (which starts at day 8 and its completion
at day 10) causes decrease in rooting at any time during cutting treatment ,in particular, at
zero time . In addition, results of this study revealed that terminal buds do not influence
significantly adventitious root formation whether IBA supplied or not. Whereas in leafless
c
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Objectives: The study objectives were to evaluate customer satisfaction with community pharmacy services and measure the relationships between customer satisfaction and pharmacy/pharmacist characteristics and customer quality of life. Methods: This was a cross-sectional survey of a convenience sample of customers at 20 community pharmacies in 10 different geographical areas in Baghdad city between May and September 2018. We used the satisfaction items which were developed by Paterson and colleagues in 2013. The survey also assessed customer quality of life (QoL) with 12 QoL items. Results: The study recruited 400 pharmacy customers. Overall, customers reported good satisfaction with community pharmacy services. The most
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