Journal of Engineering in Industrial Research

Abstract The corrosion inhibition properties of naphthalene derivatives, including 4-amino-naphthalene-1-ol (4ANO), naphthalene-4-diamine (N4D), 4-amino-naphthalene-1-carboxylic acid (4ANC), 4-amino-2H-naphthalene-1-one (4AHN), and 4-amino-2H-naphthalene-1-thione (4AHT), were investigated on the Fe(111) surface. Computational methods, including density functional theory (DFT), were employed to evaluate various quantum parameters such as Fukui function, binding energy, and electronic properties including energy gap (ΔE), E_HOMO, E_LUMO, ionization energy (IE), electron affinity (AE), global hardness (η), softness (σ), number of electrons transferred (ΔN), global electrophilicity index (ω), electronegativity (χ), ΔE_{Back-donation}, and electron-donating (ω^-) and accepting (ω⁺) powers. The results revealed significant variations in the corrosion inhibition effectiveness among the studied naphthalene derivatives. 4ANO exhibited strong corrosion inhibition properties, attributed to its favourable interaction with the Fe(111) surface, as indicated by high binding energy and favourable quantum parameters. N4D and 4ANC also showed promising corrosion inhibition capabilities, although to a lesser extent compared to 4ANO. However, 4AHN and 4AHT displayed relatively weaker inhibition effects. Overall, this study provides valuable insights into the corrosion inhibition mechanisms of naphthalene derivatives on Fe(111) surfaces, offering guidance for the design and optimization of corrosion inhibitors for practical applications in metal protection and corrosion control.

Abstract In this study, we used the electrochemical deposition technique to synthesize the MgSe material. The magnesium nitrate hexahydrate (Mg(NO₃)₂.6H₂O) and selenium (IV) oxide (SeO₂), are part of the electrochemical bath system. At a 2θ angle, MgSe material shows a diffraction angle of 15.669^o. The diffraction peaks at 2θ = 15.669^o, 16.452^o, 17.426^o, 23.489^o, and 27.592^o correspond, respectively, to the diffraction planes of 002, 100, 111, 112, and 212 of MgSe material. The film thickness decreased from 112.81 to 104.42 nm with an increase in the precursor temperature of MgSe. As the conductivity of the films increases from 1.01 to 1.17 S/m, the resistivity decreases from 98.09 to 85.42 ohm/cm. In the UV range, the films showed high transmittance, surpassing 70%. The films that underwent deposition at 50 ^oC demonstrated the highest transmittance, with an average of 72% in the visible and near-infrared spectrum. The reflectance value of every film that was deposited was over 15%. The films deposited had energy band gaps ranging from 1.75 to 2.56 eV. As the temperature increased, the energy band gap also increased. The bandgap energy range found in this study is perfect for absorbing solar energy radiation above 1.75 eV, making it ideal for solar cell absorber layers.

Abstract One of the most important areas of research to address the deterioration of metal surfaces in various settings is corrosion inhibition. The effectiveness of amoxicillin as a corrosion inhibitor on Fe(111), Al(110), and Cu(110) surfaces was investigated in this work using simulation techniques and density functional theory (DFT). Using extensive computer simulations, we identified the key chemical reactions and energy processes that control the inhibitory pathway. Our results highlight the critical roles that the electrophilic site O22 and the Fukui nucleophilic site C2, S7 play in mediating the inhibitory pathway. Furthermore, the binding energies of -50.65, -38.97, and -43.24 for the Fe (111), Al (110), and Cu (110) surfaces, respectively, demonstrate the high affinity of amoxicillin for these substrates. In addition, the energies of -5.608 HOMO and -1.873 LUMO provide information on the electrical properties that support the inhibition process. When taken as a whole, these findings provide light on the molecular mechanisms by which amoxicillin inhibits corrosion, providing important information for the development of new materials and corrosion-resistant techniques. Interestingly, the Fe-amoxicillin interaction shows more potential than the Al-Cu interaction. In conclusion, the molecule amoxicillin had a mild inhibition in the order Fe(111) >Al(110)> Cu(110) also inhibiting a physisorption on both surfaces of Fe(111), Al(110), and Cu(110).

Abstract Method development for ICP-MS entails optimizing parameters to ensure precise and accurate elemental measurements. Sample preparation involves selecting techniques like digestion and dilution. Instrument setup optimizes plasma power and calibration with certified reference materials. Mass selection considers sensitivity and interference. Background correction methods account for spectral interferences. Internal standards correct for variations. Quality control ensures accuracy through replicate analyses and spike recoveries. Data analysis involves quantification and validation based on regulatory guidelines. Method optimization refines parameters for improved sensitivity and robustness. Comprehensive documentation and SOPs maintain consistency. Validation assesses accuracy, precision, and linearity according to standards like USP and ICH. Overall, this systematic approach guarantees reliable elemental analysis using ICP-MS.

Abstract The physical properties of Zr-doped CrS films were examined in-depth in this study, focusing on the influence of precursor temperature during electrochemical deposition for photovoltaic use. The spectra show a decrease in absorbance from 300 to 600 nm in the visible range and an increase from 650 to 1100 nm in the ultraviolet range. The transparency of chromium sulfide (CrS) films is enhanced by adding a zirconium dopant at precursor temperatures ranging from 45 to 55 ^oC. The energy bandgap of Zr-doped CrS and CrS varies between 2.35 and 3.33 eV. As the precursor temperature increases, the crystallite size of the CrS and Zr-doped CrS material increases. This shows a better quality and growth of the material's grains. Precursor temperature influences the crystal structure of CrS and Zr-doped CrS films. The studies revealed that variations in the precursor temperature influence the film's crystallinity, phase composition, and grain size.