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 toxicity effect of some heavy metals (Lead, Cadmium, Copper, and Zinc) on the growth of alga Scenedesmus dimorphus which belongs to the Division of Chlorophyta was studied and depended on the total cell number . The growth rate and doubling time were also calculated accordingly in present of absent of the the heavy metals . There were differences in toxic effects of the metals (p<0.05) . The growth was decreased gradually with alga when exposured to Lead at 15,20 and 25 mg/l in comparison with the control , mean while 30 mg/l caused an acute decrease in growth . Treating the alga with 0.05,0.1,0.5 mg/l concentration of Cadmium the number of cells decreased while at 1 mg/l the effect was more pronounced . As for Copper the conc
... Show MoreThis manuscript investigated the effect of anchorage CFRP wrapping sheets, bolts, and laminate interlock on increasing the efficiency of flexural strengthening for the post-tension girder using CFRP composites techniques longitudinal laminates at the soffit for partially damaged loss of about 14.3% from its area of prestressed concrete beams, and the impact on restoring the original flexural capacity of PC girder. Mitigating delamination of the soffit of horizontal laminates (CFRP). The texture of the laminate and anchorages influenced the stress of the laminate carbon fiber, the mode of crack propagation and failure, and consequently, the beam's attitude has been investigated in this manuscript. The experimental findi
... Show MoreThe experiment was conducted using Potato( Solanum tuberosum L.) at the eastern Radwaniyah at private field during fall season 2020/2021 and spring 2021 to study the effect of nitrogen levels to 350, 275, 200 kg N h-1 ( N1, N2, N3) and phosphorous to 100, 180, 360 kg P2O5 h-1 ( P1, P2, P3) and potassium to 100, 200, 300 kg K2O h-1 ( K1, K2, K3) to vegetative growth and yield of industrial potato, The seeds of the hybrid potato Sinora, Class A, were planted in the fall season on 15/9/2020 and Elite in the spring season on 31/1/2021. The experimental fertilizers were added in four batches and in proportions according to the stages of plant age, Factorial experiment with RCBD using three replications. The results showed that changing t
... Show MoreIn this work, MWCNT in the epoxy can be prepared at room temperature and thickness (1mm) at different concentration of CNTs powder. Optical properties of multi-walled carbon nanotubes (CNTs) reinforced epoxy have been measured in the range of (300-800)nm. The electronic transition in pure epoxy and CNT/epoxy indicated direct allowed transition. Also, it is found that the energy gap of epoxy is 4.1eV and this value decreased within range of (4.1-3.5)eV when the concentration of CNT powder increased from (0.001-0.1)% respectively.
The optical constants which include (the refractive index (n), the extinction coefficient (k), real (ε1) and imaginarily (ε2) part of dielectric constant calculated in the of (300-800)nm at different concent
The dielectric properties of polyvinyl chloride (PVC)-MnCl2 composite were studied by using the impedance technique. The measurements were carried out as a function of frequency in the range from 10 Hz to 13 MHz and temperature range from 27oC to 55oC. Using a composite of 20 wt. % MnCl2 by weight, it was found that the dielectric constants and the dielectric loss of the prepared films increase with the increasing temperature at law frequency and the enhancement of the ionic conduction which is confirmed by the increase the of AC. conductivity and the decrease of the activation energy of the conduction mechanism at high applied frequency. The observed relaxation and polarization effects of composite a
... Show MoreUnsaturated soil can raise many geotechnical problems upon wetting and drying resulting in swelling upon wetting and collapsing (shrinkage) in drying and changing in the soil shear strength. The classical principles of saturated soil are often not suitable in explaining these phenomena. In this study, expansive soil (bentonite and sand) were tested in different water contents and dry unit weight chosen from the compaction curve to examine the effect of water content change on soil properties (swelling pressure, expansion index, shear strength (soil cohesion) and soil suction by the filter paper method). The physical properties of these soils were studied by conducting series of tests in laboratory. Fitting methods
... Show MoreCeramic to metal joining technique, which was used in this investigation includes the use of active filler alloy as a sandwich between the alumina and kovar alloy for brazing. High purity powdered metals of silver, copper, and additives of titanium were used to prepare the active filler alloy, through compacting the mixed powders and alloying in a furnace with argon atmosphere at the temperature of 800oC for 10 minutes. To use it as an active filler metal, it has been modified to a proper thickness. Two groups of alumina were prepared with different sintering temperatures (1450oC and 1650oC) and each group was tested under atmospheric pressure, vacuum furnace pressure of 2*10-4 torr and vacuum furnace pressure of 2*10-6 torr. All the pro
... Show MoreThis research is focusing on finding more effective polymers that leads to enhance the rheological properties of Water Base Muds. The experiments are done for different types of mud for all substances which are Polyacrylamide, Xanthan gum, CMC (Carboxyl Methyl Cellulose). This study shows the effect of add polymer to red bentonite mud, effect of add polymer to Iraqi bentonite mud, the effect of add bentonite to polymer mud. The mud properties of Iraqi bentonite blank are enhanced after adding the polymers to the blank mix, CMC gives the highest value of plastic viscosity and Gel strength than others; X-anthan gives the highest value of yield point and gel strength than others. For the red bentonite mud, Polyacrylamide ha
... Show MoreThe paper aims is to solve the problem of choosing the appropriate project from several service projects for the Iraqi Martyrs Foundation or arrange them according to the preference within the targeted criteria. this is done by using Multi-Criteria Decision Method (MCDM), which is the method of Multi-Objective Optimization by Ratios Analysis (MOORA) to measure the composite score of performance that each alternative gets and the maximum benefit accruing to the beneficiary and according to the criteria and weights that are calculated by the Analytic Hierarchy Process (AHP). The most important findings of the research and relying on expert opinion are to choose the second project as the best alternative and make an arrangement acco
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