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The feasibility study of utilizing sunflower oil as renewable biomass source to develop highly effective inhibitors for mild steel corrosion (MS) in the 15% HCl medium was done by weight loss, potentiodynamic polarization (PDP), dynamic electrochemical impedance spectroscopy (DEIS), and electrochemical impedance spectroscopy (EIS), supported with energy-dispersive X-ray (EDX), atomic force microscopy (AFM), and field-emission scanning electron microscope (FESEM) techniques. Moreover, a complementary theoretical investigation was carried out to clarify the inhibition mechanism of inhibitors by density functional theory (DFT), density functional based tight-binding (DFTB), and molecular dynamics (MD) simulation approaches. The obtained results confirm that sunflower-oil-based corrosion inhibitor (SFOCI) has a significant anticorrosion property toward the dissolution of MS in 15% HCl solution in the temperature range 20–80 °C. In addition, the results show that SFOCI could provide an inhibition efficiency of 98 and 93% at 60 and 80 °C, respectively. The inhibition mechanism of SFOCIs was mixed-type and their adsorption on the surface of MS was mainly chemisorption. The FESEM and EDX studies proved the presence of SFOCI molecules on the surface of MS. In addition, the adsorption energy of SFOCI indicated an intense interaction between the inhibitor and surface of Fe. The results of this study could open a new window for the design and development of scalable and effective eco-friendly vegetable-oil-based corrosion inhibitors for highly corrosive solutions at high temperatures.

Viscosities and densities of the ternary solvent systems of 1,4-dioxane + 1-hexanol and N,N-dimethylaniline were measured at several temperatures between T ) (283.15 and 343.15) K at atmospheric pressure over the whole composition range. The experimental results are used to calculate viscosity deviations, ∆η, of the ternary system. The calculated binary data have been fitted to the Redlich-Kister equation to determine the appropriate coefficients. To determine the coefficients of ternary data, Cibulka, Singh, and Nagata equations were used. This work also provides a test of the Grunberg and Nissan equation for correlating the dynamic viscosities of binary and ternary mixtures with mole fractions.

Quantum-mechanical investigation is presented to study single attosecond pulse generation by gating high-order harmonic emission from H + 2 molecule in intense laser pulses with time-dependent ellipticity. The high-order harmonic generation from H + 2 molecule in superposition of a left and a right-hand circularly polarized Gaussian pulse is studied and the effect of time duration and carrierenvelope phase of laser field on single attosecond pulse generation is investigated. Using laser field formed by combination of a left and a right-hand elliptically polarized Gaussian pulse, the effect of ellipticity of field on duration and intensity of generated attosecond pulses is studied. The numerical calculations show that, with the conventional polarization gating, an intense single attosecond pulse can be isolated from the pulse train emitted by H + 2 molecule in the laser field.

The future of materials science is borderless, cooperative, and distributed across the globe. This necessitates flexible, reconfigurable software defined research workflows, which we herein demonstrate by integrating multiple disciplines and modalities. Our brokering approach to research orchestration exposes entire laboratories in a cooperative multi-tenancy platform that is asynchronous, modular, and resilient. To the best of our knowledge, this constitutes the first international materials acceleration platform (MAP) which is herein demonstrated through a battery electrolyte workflow that ran in five countries over two weeks. We discuss the lessons learned from multi-tenancy and fault tolerance and chart a way to a universal battery MAP with fully ontology- based schemas and cost-aware orchestration.