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 study is about Maxwell , three dimensions of non – Newtonian fluid. Method of th Homotopy applied to analysis mass transfer and heat with thermophoresis effects. (Sc), Impact of therrmophoretic (𝜏), magnetic (M), Biot (γ), radiation (Rd),Schmidt Prandtle (Pr) parameters and ratio parameter(β) on concentration, temperature are offered in the paper.
Abstract This research scrutinizes the impact of external magnetic field strength variations on plasma jet parameters to enhance its performance and flexibility. Plasma jets are widely used for their high thermal and kinetic energy in both medical and industrial fields. The study employs optical emission spectroscopy to measure electron temperature, electron density, and plasma frequency in a plasma jet subjected to varying magnetic field strengths (25, 50, 100, 150, and 250 mT). The results indicate that a stronger magnetic field results in higher electron temperature (1.485 to 1.991 eV), electron density (5.405 × 1017 to 7.095 × 1017), and plasma frequency 7.382 × 1012 to 8.253 × 1012 Hz. As well as the research investigates the influ
... Show MoreFumonisin B1 is toxic secondary metabolites compound produced by Fusarium spp. on maize and maize products causes health problems to human and animal. Therefore, this research is planned to study the effect of FB1 on the expression of TLR-2 & 4 in liver and kidney cells of mice. Four group of male mice were orally administrated with single dose of FB1 toxin as the following: 0 ppb, 800 ppb, 1200 ppb and 1600 ppb. After two weeks all animals were sacrificed, liver and kidney autopsies were taken and the level of TLR-2 & 4 detected in each four group by immunohistochemistry technique (IHC). According to the IHC examination of groups (1, 2, 3 and 4) strong expression of TLR2 in liver and kidney were (0%, 33.3%, 100%, 100%), respectively. This
... Show MoreThis study was carried out to determine the effects of some environmental variables on biodiversity index value of benthic invertebrates' community in samples that collected monthly from two adjacent sites nearby the confluence of Tigris and Diyala rivers within Baghdad city that’s from November 2007 - October 2008. Results showed differences in chemical and physical characteristics for each river. Where the annual averages of these characteristics in Rivers Tigris and Diyala respectively for: water temperature (20, 19) Cº, pH (8, 8), Dissolved oxygen DO(8,4 ) mg/l , EC(1152,2979)µc/cm , Turbidity (28,74) NTU, Total Hardness of CaCO3 (485,823)mg/l, and finally NO3 (4,6)mg/l. Concerning the biological groups, included types of Insect
... Show MoreSurge pressure is supplemental pressure because of the movement of the pipes downward and the swab pressure is the pressure reduction as a result of the drill string's upward movement. Bottom hole pressure is reduced because of swabbing influence. An Investigation showed that the surge pressure has great importance for the circulation loss problem produced by unstable processes in the management pressure drilling (MPD) actions. Through Trip Margin there is an increase in the hydrostatic pressure of mud that compensates for the reduction of bottom pressure due to stop pumping and/or swabbing effect while pulling the pipe out of the hole. This overview shows suggested mathematical/numerical models for simulating surge pressure problems ins
... Show MoreThe increasing availability of computing power in the past two decades has been use to develop new techniques for optimizing solution of estimation problem. Today's computational capacity and the widespread availability of computers have enabled development of new generation of intelligent computing techniques, such as our interest algorithm, this paper presents one of new class of stochastic search algorithm (known as Canonical Genetic' Algorithm ‘CGA’) for optimizing the maximum likelihood function strategy is composed of three main steps: recombination, mutation, and selection. The experimental design is based on simulating the CGA with different values of are compared with those of moment method. Based on MSE value obtained from bot
... Show MoreMost available methods for unit hydrographs (SUH) derivation involve manual, subjective fitting of
a hydrograph through a few data points. The use of probability distributions for the derivation of synthetic
hydrographs had received much attention because of its similarity with unit hydrograph properties. In this
paper, the use of two flexible probability distributions is presented. For each distribution the unknown
parameters were derived in terms of the time to peak(tp), and the peak discharge(Qp). A simple Matlab
program is prepared for calculating these parameters and their validity was checked using comparison
with field data. Application to field data shows that the gamma and lognormal distributions had fit well.<
The temperature influence on the fluorescence lifetime, quantum yields and non-radiative rate parameter or coumarin 460 dye dissolved in methanol was investigated in the temperature range (160-300 k). A single photon counting technique was used or measuring the fluorescence decay curves. A noticeable decrease of the fluorescence lifetime with increasing the temperature was observed. The non-radiative activation energy of 10.57 K.J. mole-1 was measured by the help of Arrhenius plot.
Background: Lack of durability of the bond of the dental adhesive systems to tooth structure is one of the most important problems in tooth colored restorative work. This in vitro study was performed to evaluate the effect of 2% chlorhexidine gluconate(CHX) on dentin bond strength by using total etch adhesive system at twenty-four hours and three months of water storage. Material and methods:A flat dentin surface was prepared for forty sound human maxillary premolar teeth which were acid etched with 36% phosphoric acid gel after being divided randomly into four groups of ten teeth each according to storage time and CHX application, theCHX was applied for 60 seconds before adhesive application for groups I and III which were tested after twe
... Show MoreThe current research aims to identify the effect of the study hand-on strategy on the achievement of the chemistry subject at the first grade students in the government day schools. The Umm al-Mu 'mineen school was chosen by appointment the intentional, so that its student is the research sample of the second Rusafa Directorate for the academic year (2021-2022). Then, two divisions were randomly selected for the first average out of 6 divisions to represent the experimental group that is studying according to the strategy of the thinker hand and the other the control group that is studying according to the usual method. The equivalence of the two research groups was verified by a set of variables represented by (chronological age, previous
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