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.
The expanding use of multi-processor supercomputers has made a significant impact on the speed and size of many problems. The adaptation of standard Message Passing Interface protocol (MPI) has enabled programmers to write portable and efficient codes across a wide variety of parallel architectures. Sorting is one of the most common operations performed by a computer. Because sorted data are easier to manipulate than randomly ordered data, many algorithms require sorted data. Sorting is of additional importance to parallel computing because of its close relation to the task of routing data among processes, which is an essential part of many parallel algorithms. In this paper, sequential sorting algorithms, the parallel implementation of man
... Show MoreThe current research aims to identify the achievement of goals and the significance of the differences in achieving goals according to the variable of gender (male-female), specialization (scientific-human), and the stage (Master-PhD) for postgraduate students. To achieve the goals of the current research, the researcher developed a scale of achieving goals that was built according to the theory of (Lock & Latham 1990), which was applied to a sample of (257) male and female students who were selected randomly with a proportional distribution for the academic year (2021-2022). The scale of achieving goals consists of (30) items. The current research found that the research sample of postgraduate students has achieved their goals in ge
... Show MoreThe present study intends to trace The friendship in puple and the differences in this according to the variables of age and sex .
The study sample includes (200) puple in intermediate, and secondary schools in Baghdad in AL- Karkh .The sample is the age of whom is ranging from (13) to (15) years .
Maghly scale for measuring the development of friendship is adopted in this study after adjusting it to the Iraqi environment . The Scale consists of (40) items .
The face and construct validity of the Scale is checked as well as its reliability which is checked by test- retest
The study reveals the following :
1 – There is positive effect of the interaction between the of middle scale friendship .
2 – There is No differe
Triticale is being evaluated as a substitute for corn in animal feed and as a forage crop for Florida. Storage of triticale seed is difficult in Florida's hot and humid climate, and more information about the relationships between equilibrium moisture content (EMC) and equilibrium relative humidity (ERH) at constant temperature (sorption isotherms) of triticale is needed to develop improved storage methods. Therefore, the primary research objective was to measure the EMC for triticale seed at different ERH values at three different constant temperatures (5°C, 23°C, and 35°C) using six desiccation jars containing different saturated salt concentrations. The secondary objective was to determine the best fit equation describing these relati
... Show MoreThe current research aimed to identify the cognitive-behavioral therapy on people with depression, through the following hypothesis (there are no statistically significant differences in the sample before and after cognitive-behavioral therapy). The importance of research is highlighted through the use of cognitive-behavioral therapy, to be used in treating depression, anxiety and fears by health institutions. It is also considered as a reference for psychological studies related to this topic to be added to our libraries that already suffer from a scarcity of this type of resources. The cognitive-behavioral therapy was used in the treatment of five male subjects.
The study revealed the existence of statistically significant diff
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