Ni(II) Butylmethyldithiocarbamate: Physico-Chemical Properties, X-Ray Crystallography, DFT and Anti-Corrosion Screening in Different Acids

In industrial sectors, pickling and acid cleaning are mutual processes where acid solutions, such as hydrochloric acid (HCl) and sulfuric acid (H2SO4), are used to eliminate the corrosion products yielded on metal surfaces; thus, improving the performance of the machineries. However, the usage of the acid could lead to another metal deterioration. Dithiocarbamate inhibitor is defined as an organic compound that has good corrosion inhibition properties that can work as an inhibitor in an acid environment. Dithiocarbamate (DTC) assists by reducing acid reactiveness which prohibits metal dissolution in the acid. In this study, the Ni(II) N-butylmethyldithiocarbamate (Ni[BuMedtc]2) complex was synthesised by using an in-situ method and characterised by elemental analyser, attenuated total reflection Fourier transform infrared (ATR-FTIR), ultraviolet-visible (UV-Vis) spectroscopy and X-ray crystallographic study, and the chemical properties of the Ni[BuMedtc]2 complex was successfully calculated by the Discrete Fourier Transform (DFT) approach. The experimental results which were obtained through the weight-loss analysis method in two different acids – 1 M HCl and 1 M H2SO4 – indicated that the inhibition efficiency increased as the inhibitor concentration increased. The outcome showed that the Ni[BuMedtc]2 performed better as an inhibitor in 1 M HCl as compared to in1 M H2SO4 to protect the metal exterior because H2SO4 is more corrosive due to the excessive presence of H+.

Inhibition Evaluation of 5-(4-(1H-pyrrol-1-yl)phenyl)-2-mercapto-1,3,4-oxadiazole for the Corrosion of Mild Steel in an Acidic Environment: Thermodynamic and DFT Aspects

In this investigation, an oxadiazole namely 5-(4-(1H-pyrrol-1-yl)phenyl)-2-mercapto-1,3,4-oxadiazole (PMO), was synthesized and explored as an inhibitor against the corrosion of mild steel in 1.0 M hydrochloric acid environment at various solution temperature 303-333 K. gravimetric, and microscopic techniques, namely, weight loss (WL), and scanning electron microscopy (SEM), have been used to evaluate the inhibitive performance of the tested PMO. The results of the WL method displayed that the inhibition efficiency (%IE) was found to increase with the inhibitor concentration, while it reduced with increasing temperature. Furthermore, the WL results reveal that PMO inhibits corrosion display an IE of 95% at the highest concentration of 0.005 M. The SEM images of the mild steel surface coupon after adding PMO revealed a wide coverage of PMO molecules on the mild steel surface. Hence, the high inhibiting efficiency acquired by the tested inhibitor was explained by the strong adsorption of PMO molecules on the surface of mild steel. A protective layer has been constructed and it separating the mild steel surface from the hydrochloric acid solution, and such adsorption was found to obey Langmuir adsorption isotherm. Moreover, the thermodynamic parameters suggested that the adsorption nature of PMO molecules on the coupon surface was chemo-physisorption. Quantum chemical calculations were conducted by density functional theory (DFT) which help correlate the methodological findings with the theoretical investigations. The mechanisms of PMO molecules as corrosion inhibitor for mild steel surface in the corrosive environment was also discussed.

Acetylcholine and Rivastigmine as Corrosion Inhibitors of Cu – Sn - Zn – Pb Alloy in Hydrochloric Acid Environment: DFT & Electrochemical Approach

The study on the action of Acetylcholine and Rivastigmine as Corrosion Inhibitors of Cu – Sn - Zn – Pb Alloy in Hydrochloric Acid Environment was carried out using density functional theory, electrochemical impedance spectroscopy, Potentiodynamic polarization, Scanning electron microscopy and weight loss. The result revealed that both Acetylcholine and Rivastigmine expired drugs were good inhibitors of Cu – Sn - Zn – Pb Alloy in Hydrochloric Acid Environment. This was confirmed from results of weight loss (99.1 % and 95.0 %), electrochemical impedance spectroscopy (EIS) (92.5 % and 91.8 %), and Potentiodynamic polarization (97.4 % and 87.1 %). Both inhibitors were able to increase the charge transfer resistance and corrosion current densities of the electrical solution and reduce the double layer capacitance of the metal – solution interface. Inhibition was as a result of adsorption of inhibitor molecules on the Cu – Sn - Zn – Pb surface. Thermodynamically, inhibitors showed greater stability on metal surface, spontaneous in the forward direction and reduction in level of disorderliness. Inhibitors demonstrated a mixed type inhibition while physical adsorption mechanism was proposed for the inhibitor – metal interaction. Langmuir adsorption isotherm was obeyed as data fitted adequately to the isotherm and regression coefficient was approximately unity. A monolayer adsorption was deduces.

Effect of Iron Content on Corrosion Properties of Pure Titanium as Grain Refiner

Microstructures and corrosion properties of pure titanium were characterized when iron was used as a grain refiner. The added Fe element acted as a strong grain refiner for pure titanium by forming β Ti phase at grain boundaries, and 0.15 wt% Fe was revealed to be a sufficient amount to make the grain size of pure titanium below 20 μm, which was the requirement for the desired titanium cathode. However, corrosion resistance was decreased with the Fe amount added. From the open circuit potential (OCP) results, it was obvious that the TiO2 stability against the reducing acid environment was deteriorated with the Fe amount, which seemed to be the main reason for the decreased corrosion resistance. Electrochemical impedance spectroscopy (EIS) results showed that both the decrease in the compact oxide film’s resistance (Rb) and the appearance of the outer porous film occurred as a result of the dissolution of the TiO2 layer, whose phenomena became more apparent as more Fe was added.