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Evolutionary algorithms are a large class of optimization techniques inspired by the ideas of natural selection, and can be employed to address challenging problems. These algorithms iteratively evolve populations using crossover, which combines genetic information from two parent solutions, and mutation, which adds random changes. This iterative process tends to produce effective solutions. Inspired by this, the current study presents the results of thermal variation on the surface of a wetted wavy fin using a genetic algorithm in the context of parameter estimation for artificial neural network models. The physical features of convective and radiative heat transfer during wet surface conditions are also considered to develop the model. The highly nonlinear governing ordinary differential equation of the proposed fin problem is transmuted into a dimensionless equation. The graphical outcomes of the aspects of the thermal profile are demonstrated for specific non-dimensional variables. The primary observation of the current study is a decrease in temperature profile with a rise in wet parameters and convective-conductive parameters. The implemented genetic algorithm offers a powerful optimization technique that can effectively tune the parameters of the artificial neural network, leading to an enhanced predictive accuracy and convergence with the numerically obtained solution. [ABSTRACT FROM AUTHOR]

In many studies published in recent years, corrosion scientists proved that various drug molecules can exhibit high inhibition performance against the corrosion of metal surfaces and alloys. This study presents the adsorption behaviour and inhibition mechanism of Omeprazole and Tinidazole on steel surface in gas phase and aqueous acidic conditions using quantum chemical calculations and molecular dynamics simulations. Well-known quantum chemical parameters such as EHOMO, ELUMO, energy gaps, dipole moment, global hardness, softness, electrophilicity, electrodonating power, electroaccepting power and the fraction of electron transfer, were calculated to understand the corrosion inhibition properties and interactions with the steel surface of the studied molecules. Fukui indices analysis was performed to identify the local reactivities of the molecules. Additionally, Monte Carlo simulations were used to determine the optimal adsorption configuration of the inhibitors onto a Fe (1 1 0) surface. The study's findings provide valuable insights into preventing corrosion of steel surfaces in aqueous acidic environments. The theoretical data obtained was evaluated in terms of Maximum Hardness, Minimum Polarizability and Minimum Electrophilicity Principles. [ABSTRACT FROM AUTHOR]

Single‐phase BiVO4 (BV) powder was synthesized successfully at 600°C within 4 h duration through the mechanochemical high energy ball milling method, and the combined photocatalytic and piezocatalytic activity was studied to exhibit piezo‐photocatalytic efficiency. Monoclinic BV phase existence in the synthesized powder was affirmed through Raman spectroscopy and the X‐ray diffraction techniques. The scanning electron microscopy affirmed the irregular‐shaped BV powder in the synthesized powders. X‐ray photoelectron spectroscopy affirmed the existence of various oxidation states of the elements V, Bi, and O in BV powders. The piezocatalytic and photocatalytic methylene blue (MB) dye degradation efficiency using BV powdered sample was observed to be 28% and 60%, respectively, within 240 min. The piezo‐photocatalytic MB dye degradation using BV powdered sample was observed to be 81% within 240 min. Effect of dye concentration on kinetic rate constant was also studied. [ABSTRACT FROM AUTHOR]

Crystallizationof calcium sulfate dihydrate (CaSO4·2H2O, gypsum) in sodium chloride solutions has been studied inthe presence of magnesium ion. It was shown that Mg2+hasan inhibiting effect on the two stages of precipitation: nucleationand growth. Kinetic results were explained on the basis of the strongeffect of magnesium ions on gypsum solubility. In the studied rangeof the ionic strength (IS), it was found that in the presence of NaClthe solubility increase stops beyond IS = 0.31 mol·L–1whereas it continues to rise in the presence of MgCl2. X-ray diffraction analyses showed that magnesium ions act by substitutingthe calcium ones or by insertion in the defects of the gypsum crystallattice. [ABSTRACT FROM AUTHOR]