A theoretical study on corrosion inhibitors was done by quantum calculations includes semi-empirical PM3 and Density Functional Theory (DFT) methods based on B3LYP/6311++G (2d,2P). Benzimidazole derivative (oxo(4- ((phenylcarbamothioyl) carbamoyl)phenyl) ammonio) oxonium (4NBP) and thiourea derivative 2-((4- bromobenzyl)thio) -1H-benzo[d] imidazole (2SB) were used as corrosion inhibitors and an essential quantum chemical parameters correlated with inhibition efficiency, EHOMO (highest occupied molecular orbital energy) and ELUMO (lowest molecular orbital energy). Other parameters are also studied like energy gap [ΔE (HOMO-LUMO)], electron affinity (EA), hardness (Δ), dipole moment (μ), softness (S), ionization potential (IE), absolute electron negativity (χ), and global electrophilicity index (ω) respectively. Mulliken population was also essential to determine a local reactivity by indicating reactive centers and identifyinga potential nucleophilic and electrophilic attacks sites. The adsorption of compounds is also discussedwith the bonds length, the angles, and tetrahedral of molecules. The 2SB best from 4NBP as corrosion inhibitors according to theoretical and experimental proving.Predicated.
rop simulation models play a pivotal role in evaluating irrigation management strategies to improve water use in agriculture. The aim of this study is to verify the validity of the Aquacrop model of maize under the surface and sprinkler irrigation systems, and a cultivation system, borders and furrows, and for two varieties of Maze (Fajr and Drakma) At two different sites in Iraq, Babylon and Al-Qadisiyah governorates. An experiment was conducted to evaluate the performance of the Aquacrop model in simulating canopy cover (CC), biomass (B), dry yield, harvest index (HI), and water productivity (WP). The results of RMSE, R2, MAE, d, NSE, CC, Pe indicated good results and high compatibility between measured and simulated values. The highest a
... Show MoreIn this paper, we have derived Bayesian estimation for the parameters and reliability function of Perks distribution based on two different loss functions, Lindley’s approximation has been used to obtain those values. It is assumed that the parameter behaves as a random variable have a Gumbell Type P prior with non-informative is used. And after the derivation of mathematical formulas of those estimations, the simulation method was used for comparison depending on mean square error (MSE) values and integrated mean absolute percentage error (IMAPE) values respectively. Among of conclusion that have been reached, it is observed that, the LE-NR estimate introduced the best perform for estimating the parameter λ.
This research involves the synthesis of conductive polymer includes: poly (N, Ndimethyl
aniline) on metal surface which is stainless steel 316 by using
electrochemical polymerization technique. Parameters of this research are voltage
rang, scan rate, number of cycles. The tests for corrosion protection of the polymer
coated and uncoated stainless steel substrate was investigated in artificial sea water
of 3.5% NaCl solution by tafel and potentiodynamic procedures. Fourier Transform
Infrared Spectroscopy (FTIR), UV-Visible absorption spectroscopy, Scanning
Electron Microscope (SEM) and Atomic Force Microscope (AFM) were used to
diagnose and describe the structure and morphology of the coating. Parameters of
corr
Is in this research review of the way minimum absolute deviations values based on linear programming method to estimate the parameters of simple linear regression model and give an overview of this model. We were modeling method deviations of the absolute values proposed using a scale of dispersion and composition of a simple linear regression model based on the proposed measure. Object of the work is to find the capabilities of not affected by abnormal values by using numerical method and at the lowest possible recurrence.
Abstract In this study, an investigation is conducted to realise the possibility of organic materials use in radio frequency (RF) electronics for RF-energy harvesting. Iraqi palm tree remnants mixed with nickel oxide nanoparticles hosted in polyethylene, INP substrates, is proposed for this study. Moreover, a metamaterial (MTM) antenna is printed on the created INP substrate of 0.8 mm thickness using silver nanoparticles conductive ink. The fabricated antenna performances are instigated numerically than validated experimentally in terms of S11 spectra and radiation patterns. It is found that the proposed antenna shows an ultra-wide band matching bandwidth to cover the frequencies from 2.4 to 10 GHz with bore-sight gain variation from 2.2 to
... Show MoreThe nuclear pre-equilibrium emission spectra have been studied and calculated using the exciton model with different reactions and incident energiesfor the target nuclei: . The secondary emissioncomponent has been inserted to the final emission spectrum and its effectshave been studied for only reactions with primary nucleons emission because the restrictions introduced by primary clusters emission reactions. It revealed a big contributioninenhancing the calculated energy spectra atincident energies more than
Global concerns are rising due to complications associated with the use of chemical agents and antibiotic resistance. Consequently, research focus has shifted towards the quest for effective agents of biological origin. The aim of the present study was to assess the antioxidant and antimicrobial potentials of aqueous and organic extracts derived from various parts of Alcea kurdica. Different parts of A. kurdica were obtained and prepared into leaf, flower and root powders. The powders were extracted with aqueous and organic solvents. The antimicrobial activity of these extracts was assessed against bacterial pathogens using the agar well-diffusion assay. Additionally, the antioxidant effects of the extracts were evaluated using the
... Show MoreThis paper is concerned with the solution of the nanoscale structures consisting of the with an effective mass envelope function theory, the electronic states of the quantum ring are studied. In calculations, the effects due to the different effective masses of electrons in and out the rings are included. The energy levels of the electron are calculated in the different shapes of rings, i.e., that the inner radius of rings sensitively change the electronic states. The energy levels of the electron are not sensitively dependent on the outer radius for large rings. The structures of quantum rings are studied by the one electronic band Hamiltonian effective mass approximati
... Show MoreAbstract
In this study, we compare between the autoregressive approximations (Yule-Walker equations, Least Squares , Least Squares ( forward- backword ) and Burg’s (Geometric and Harmonic ) methods, to determine the optimal approximation to the time series generated from the first - order moving Average non-invertible process, and fractionally - integrated noise process, with several values for d (d=0.15,0.25,0.35,0.45) for different sample sizes (small,median,large)for two processes . We depend on figure of merit function which proposed by author Shibata in 1980, to determine the theoretical optimal order according to min
... Show More
Fac Med Baghdad 2014; Vol.56, No.2 Received: Feb. 2014 Accepted March. 2014
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