Comparison of Penta and Tetra-pyridyl Cobalt-based Catalysts for Water Reduction: H2 Production Cycle,Solvent Response and Reduction Free Energy

Understanding water reduction towards H₂ generation is crucial to overcome today's renewable energy obstacles. Previous studies have shown the superior H₂ production performances of Cobalt based penta-pyridyl (CoaPPy) and tetra-pyridyl (CoaTPy) complexes in solution. We investigate H₂ production cycles of CoaPPy and CoaTPy complexes immersed in water solution by means of Ab-initio Molecular Dynamics and Density Functional Theory. We monitor dynamic properties of the systems, solvent response and structural changes occurring in the catalysts, by simulating all intermediate steps of the H₂ production cycle. Reduction free energies and reorganization energies are calculated. Our results show that, following the first electron injection, H₂ production proceeds with the singlet spin state. Following the first electron insertion, we observe a significant rearrangement of the hydrogen bonding network in the first solvation shell. The cobalt center turns out to be more accessible for the surrounding water molecules in the case of CoaTPy at all the intermediate steps, which explains its higher catalytic performance over CoaPPy. Following the first reduction reaction, a larger gain in reduction free energy is estimated for CoaTPy with respect to CoaPPy, with a difference of 0.14 eV, in line with the experiments. For the second reduction, instead, CoaPPy shows more negative reduction potential, by 0.41 eV.     

Diffraction of electromagnetic waves by a resistive half-plane in magneto-ionic plasma

The interaction of magnetic polarized electromagnetic wave with a resistive half-plane in magneto-ionic plasma is investigated. The method of transition boundary is used for the evaluation of the diffracted wave. The excitation of surface waves is examined in the medium and their diffracted fields are derived by using the diffraction theory for grazing incidence. The uniform field expressions are obtained with the aid of the uniform theory for evanescent waves. The behaviours of the derived scattered waves are studied numerically.     

White and some colored marbles as alternative radiation shielding materials for applications

ABSTRACT

In this paper, the radiation shielding parameters such as linear attenuation coefficients (LAC, µ), mass attenuation coefficients (MAC, µ/ρ), effective atomic numbers (Z_eff), effective electron densities (N_eff), half value of layers (HVL), mean free paths (MFP) and buildup factors (exposure (EBF) and energy absorption (EABF)) were investigated for cream (M1), pink (M2), white (M3), maroon (M4) and green (M5) marbles. Attenuation coefficients were measured in the energy region 31.18–661.66 keV photon energies. The values of Z_eff and N_eff were then calculated using these coefficients with logarithmic interpolation method, and HVLs and MFPs were calculated using the values of LAC of marble samples at the same photon energies. The experimental results were compared with the theoretical values obtained from WinXCom program, and good agreements were observed between the experimental and theoretical results. HVLs and MFPs of all marble samples were compared with those of some concretes, glasses and commercial radiation shielding glasses (SCHOTT Co.). The studied marbles were better radiation shielding materials than standard shielding concretes due to lower HVL and MFP values lower than the ordinary concrete. Finally, EBFs and EABFs of the marbles were calculated in the energy region 0.015–1?MeV up to penetration depths of 40 mfps by Geometric Progression method (G-P), and the results were discussed in terms of photon energies and chemical compositions of the marbles.     

On the analysis of vibration equation involving a fractional derivative with Mittag-Leffler law

The present article deals with a fractional extension of the vibration equation for very large membranes with distinct special cases. The fractional derivative is considered in Atangana-Baleanu sense. A numerical algorithm based on homotopic technique is employed to examine the fractional vibration equation. The stability analysis is conducted for the suggested scheme. The maple software package is utilized for numerical simulation. In order to illustrate the effects of space, time, and order of Atangana-Baleanu derivative on the displacement, the outcomes of this study are demonstrated graphically. The results revel that the Atangana-Baleanu fractional derivative is very efficient in describing vibrations in large membranes.     

Microbiologically-influenced corrosion of the electroless-deposited NiP-TiNi – Coating

In this study, we reveal the microbiologically influenced corrosion (MIC) behavior of the new electroless NiP-TiNi nanocomposite coating in simulated seawater using the electrochemical impedance spectroscopy (EIS) technique after different periods of incubation time (7, 10, 14, 21, 28 days) in a sulfate-reducing bacteria (SRB) medium. The biofilm formation and the corrosion products were characterized using the scanning electron microscope (SEM) and X-ray photoelectron spectroscopy (XPS). The EIS results revealed the carbon steel (CS)/NiP-TiNi and NiP-TiNi/SRB biofilm interfaces' characteristics after different incubation times in the SRB media. EIS measurements revealed that the NiP-TiNi nanocomposite coating's MIC resistances are superior relative to API X80 carbon steel and a TiNi-free NiP coating, with ∼93% of corrosion inhibition efficiency after 28 days of incubation.     

Biosurfactants: Opportunities for the development of a sustainable future

Changes in the environment in recent years have led to the examination of the role and influence human activities on it. Attempts to quantify the impact of these activities by developing standardized modeling frameworks through life cycle sustainability assessment is one such approach in the context of sustainability seeking to measure the impact of human interventions from a holistic perspective that includes economic, social, and environmental dimensions. Sustainable alternatives to synthetic products are always keenly sought after. Biosurfactants are emerging as suitable alternatives to the predominant less sustainable petroleum-derived counterparts. Several factors surrounding their production, distribution, and end-use, however, still needs to be considered before conclusively confirming their sustainability. Though data are still limited in that subject matter, research showing their impact on some sustainability indicators is highlighted. This review discusses the potential of biosurfactants as sustainable products in the context of social, economic, and environmental aspects.     

Multi soliton solutions,M-lump waves and mixed soliton-lump solutions to the awada-Kotera equation in (2+1)-dimensions

In this research paper, the well-known simple Hirota’s method is employed to study the (2+1)-dimensional Sawad-Kotera equation. The logarithmic variable transformation is implemented on the proposed problem to construct the bilinear Hirota form. Based on its bilinear representation, the features of multi soliton solutions, M-lump waves, and the mixed 1-M-lump with one-soliton, and two-soliton solutions are explored. For one M-lump solution, the wave motion in the x and y directions are also studied. To better understand the physical phenomena of the gained solutions, three-dimensional graphics and their corresponding surfaces are also presented.