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), absolut

Density functional theory (DFT) calculations were used to evaluate the capability of Glutamine (Gln) and its derivative chemicals as inhibitors for the anti-corrosive behavior of iron. The current work is devoted to scrutinizing reactivity descriptors (both local and global) of Gln, two states of neutral and protonated. Also, the change of Gln upon the incorporation into dipeptides was investigated. Since the number of reaction centers has increased, an enhancement in dipeptides’ inhibitory effect was observed. Thus, the adsorption of small-scale peptides and glutamine amino acids on Fe surfaces (1 1 1) was performed, and characteristics such as adsorption energies and the configuration with the highest stability and lowest energy were ca

The aesthetic expression and its orders are important for steel structures forming. Steel structures are a compilation of structural elements, where its shapes have standard dimensions and pre-fabricated. As the steel construction systems not only aim to achieve the functional requirements for users, but must also have the symbolic aesthetics which provides visually and cognitive expression for viewers. In this sense the research interested in expressional aesthetics in these systems and highlights the importance of attention as structural items. Therefore the visual items which related with steel structures contain some of the most powerful forms of modern architecture, steel structures with a glass cladding, agility an

The corrosion inhibition of aluminum alloy 5083 by an environment friendly compound called (8- Hydroxyquinoline) in
acidic and alkaline solutions of pH (2 and 12) respectively were studied using weight loss and polarization techniques.
Also to examine the main and combined effects of the inhibitor concentration, pH, and contact time using factorial
experimental design. Results show that corrosion rate decreased with increasing both inhibitor concentration and
contact time and increased with increasing pH value. The polarization curves show that 8-hydroxyquinoline is a
cathodic inhibitor

In this paper, Response Surface Method (RSM) is utilized to carry out an investigation of the impact of input parameters: electrode type (E.T.) [Gr, Cu and CuW], pulse duration of current (I_p), pulse duration on time (T_on), and pulse duration off time (T_off) on the surface finish in EDM operation. To approximate and concentrate the suggested second- order regression model is generally accepted for Surface Roughness Ra, a Central Composite Design (CCD) is utilized for evaluating the model constant coefficients of the input parameters on Surface Roughness (Ra). Examinations were performed on AISI D2 tool steel. The important coefficients are gotten by achieving successfully an Analysis of V

       This research aims to modify the components of stainless steel alloy by the method of surface engineering through the single diffusion coating technique in order to obtain new alloys with high efficiency in resisting harsh environmental conditions. Steam a mixture of sodium chloride ( ) and sodium sulfate ( ) at a temperature of 900 and then compare it with the base alloy. The results showed that the alloys produced in this way are very efficient. The results showed that the aluminum coating showed high efficiency in resisting oxidation and provided better protection for a longer time compared to the uncoated alloy due to the  oxide crust layer formed with high adhesion as well as the aluminum-rich phases, whether the phase

Cryptography is the process of transforming message to avoid an unauthorized access of data. One of the main problems and an important part in cryptography with secret key algorithms is key. For higher level of secure communication key plays an important role. For increasing the level of security in any communication, both parties must have a copy of the secret key which, unfortunately, is not that easy to achieve. Triple Data Encryption Standard algorithm is weak due to its weak key generation, so that key must be reconfigured to make this algorithm more secure, effective, and strong. Encryption key enhances the Triple Data Encryption Standard algorithm securities. This paper proposed a combination of two efficient encryption algorithms to

Using an electrochemical polymerization technique at room temperature, poly nicotine amide (PNA) was produced from the monomer nicotine amide (NA) in aqueous solution. The structure of polymer layer generated on the stainless steel surface (316 L) (working electrode) is investigated by Fourier Transmission Infrared Region (FT-IR). The anti-corrosion activity of polymer coating on the stainless steel (SS 316 L) is investigated by electrochemical polarization in 0.20M solution of HCl at 293-323K. The graphene -modified polymer film-coated SS had greater protection efficiency (PE percent) when compared to Nano ZnO -modified polymer film-coated SS. For the corrosion process of SS 316 L, kinetic and thermo-dynamic parameters of activatio