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 preparation of activated carbon (AC) from date stones by using microwave assisted K2CO3 activation was investigated in this paper. The influence of radiation time, radiation power, and impregnation ratio on the yield and methylene blue (MB) uptake of such carbon were studied. Based on Box-Wilson central composite design, two second order polynomial models were developed to correlate the process variables to the two responses. From the analysis of variance the significant variables on each response were identified. Optimum coditions of 8 min radiation time, 660 W radiation power and 1.5 g/g impregnation ratio gave 460.123 mg/g MB uptake and 19.99 % yield. The characteristics of the AC were examined by pore structure analysis, and scan
... Show MoreNominal ellipsis is a linguistic phenomenon found in English and Arabic .It is
based on leaving out a part of a nominal construction or more for the sake of good
style , compactness and connectedness .This phenomenon is found in the language of
the Glorious Qur’an .The study in hand is concerned with how translators handle
translating Qur’anic verses which contain ellipted nouns , i ,e. , to what extent the
translated Qur’anic verses are close to the original ones , and to what extent their
translations serve understanding the meanings of the glorious verses while at the
same time maintaining their beauty in style. The study aims at shedding light on
nominal ellipsis in English and Arabic .The study undertak
AshShinnafiyah and AsSamawa cities suffer from significant increase in salinity of Euphrates River water compared with their counterpart's north AshShinnafiyah city which is reflected adversely on the quality of water within the study area. The study aims to find possible solutions to avoid the deterioration of Euphrates River northern AshShinnafiyah city until AsSamawa city that were
presented by total dissolved solid TDS. Twelve main hydrological and fifteen salinity measurement stations were selected to cover 117 km of the river reach within the study area during July-2011. Additional twenty three hydrological and salinity stations were adopted during March-2012, winter season to the river within the study area. After conducting t
Salinity of soil or irrigation water is one of the most important obstacle towards crop production and productivity, especially with the increasing scarcity of fresh water in Iraq and the Arab countries. The impact of salinity will be alleviated with the increasing temperature due to global warming. The objectives of this article was to shed some light on traits more related to salinity stress tolerance in oats, and to identify genetic variation of these traits. A split-plot arrangement experiment with RCBD was applied through 2011-2013 on the farm of Dept. of Field Crops/Coll. of Agric./Univ. of Baghdad. The oats cultivars; Hamel, Pimula and Genzania were set in sub-plots, whereas water quality was set in main-plots. Water quality had two
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Abstract
Rayleigh distribution is one of the important distributions used for analysis life time data, and has applications in reliability study and physical interpretations. This paper introduces four different methods to estimate the scale parameter, and also estimate reliability function; these methods are Maximum Likelihood, and Bayes and Modified Bayes, and Minimax estimator under squared error loss function, for the scale and reliability function of the generalized Rayleigh distribution are obtained. The comparison is done through simulation procedure, t
... Show MoreThe current study was conducted in the environment of the Martyr Monument Lake in the city center of Baghdad during 2019 to monitor the impact of climatic conditions such as drought, water shortage, high temperatures in the environment of the city and the lack of water flow during the years 2015 to 2018 and their effects on some of the physical and chemical factors of water and the dynamics of the phytoplankton community in the lake environment. Heterogeneity of some studied environmental factors, including air and water temperature, permeability, water depth, pH, DO, BOD5, nutrients, nitrate, NO3, and phosphates were found. The results showed the effect of climate change and the pres
In this study, the effects of blending the un-branched acrylate polymer known as Poly (n-decyl acrylate), and the branched acrylate polymer known as Poly (iso-octyl acrylate), on the viscosity index (VI), and the pour point of the Iraqi base stocks 40, and 60 respectively, were investigated. Toluene was used as a carrier solvent for both polymer types. The improvement level of oils (VI, & pour point) gained by blending the oil with the acrylate derived polymers was compared with the values of (VI, and pour point) gained by blending the oil with a commercial viscosity index, and pour point improver. The commercial lubricant additive was purchased and used by Al-Daura Refineries. It consisted of an un-known olefin copolymer dissolved i
... Show MoreIn the present study, cytogenetic and molecular techniques were conducted to detect the chromosomal aneuploidy and the involvement of N and H genes in squamous larynx carcinoma cell line Hep-2.Our results showed that numerical and structural abnormalities were involved in larynx cancer Hep-2.The total number of chromosomes ranging from tripolyploidy in passage187to more than that in passage207.The more frequent chromosomes involved in numerical aberrations were chromosomes1,7,16,17 and 18. Structural chromosomal aberrations were also detected.Deletion of short arm was detected in chromosome 1(del 1p) and the long arm of chromosome 1(del 1q)and 6(del 6q).Gaining on short arms were also recorded in chromosomes 3(3p+) and 12(12p+).At the mole
... Show MoreCollapsible behaviour of soil is considered as one of the major problems in the stability of roadway embankment, the lack of cohesion between soil particles and its sensitivity to the change of moisture content are reasons for such problem. Creation of such cohesion may be achieved by implementation of liquid asphalt and introduction of Nano additives. In this work, silica fumes, fly ash and lime have been implemented with the aid of asphalt emulsion to improve the unconfined compressive strength of the collapsible soil. Specimens of 38 mm in diameter and 76 mm height have been prepared with various percentages of each type of Nano additive and fluid content. Specimens were subjected to unconfined compressive strength determination at dry a
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