Three-dimensional mixed convection flow with variable thermal conductivity and frictional heating

In this article,three-dimensional mixed convection flow over an exponentially stretching sheet is investigated.Energy equation is modelled in the presence of viscous dissipation and variable thermal conductivity.Temperature of the sheet is varying exponentially and is chosen in a form that facilitates the similarity transformations to obtain self-similar equations.Resulting nonlinear ordinary differential equations are solved numerically employing the Runge-Kutta shooting method.In order to check the accuracy of the method,these equations are also solved using bvp4c built-in routine in Matlab.Both solutions are in excellent agreement.The effects of physical parameters on the dimensionless velocity field and temperature are demonstrated through various graphs.The novelty of this analysis is the self-similar solution of the threedimensional boundary layer flow in the presence of mixed convection,viscous dissipation and variable thermal conductivity.     

Darboux transformation and exact multisolitons for a matrix coupled dispersionless system

We present a matrix coupled dispersionless(CD) system. A Lax pair for the matrix CD system is proposed and Darboux transformation is constructed on the solutions of the matrix CD system and the associated Lax pair. We express an N soliton formula for the solutions of the matrix CD system in terms of quasideterminants. By using properties of the quasideterminants, we obtain some exact solutions, including bright and dark-type solitons, rogue wave and breather solutions of the matrix CD system. Furthermore, it has been shown that the solutions of the matrix CD system are expressed in terms of solutions to the usual CD system, sine-Gordon equation and Maxwell-Bloch system.     

Designing spirobifullerene core based three-dimensional cross shape acceptor materials with promising photovoltaic properties for high-efficiency organic solar cells

The development of organic electron acceptor materials is one of the key factors for realizing high-performance organic solar cells (OSCs). Nonfullerene electron acceptors, compared to traditional fullerene acceptor materials, have gained much impetus owing to their better optoelectronic tunabilities and lower cost, as well as higher stability. Therefore, 5 three-dimensional (3D) cross-shaped acceptor materials having a spirobifullerene core flanked with 2,1,3-benzothiadiazole are designed from a recently synthesized highly efficient acceptor molecule SF(BR) ₄ and are investigated in detail with regard to their use as acceptor molecules in OSCs. The density functional theory (DFT) and time-dependent DFT (TDDFT) calculations have been performed for the estimation of frontier molecular orbital (FMO) analysis, density of states analysis, reorganization energies of electron and hole, dipole moment, open-circuit voltage, photo-physical characteristics, and transition density matrix analysis. In addition, the structure-property relationship is studied, and the influence of end-capped acceptor modifications on photovoltaic, photo-physical, and electronic properties of newly selected molecules ( H1-H5 ) is calculated and compared with reference ( R ) acceptor molecule SF(BR) ₄ . The structural tailoring at terminals was found to effectively tune the FMO band gap, energy levels, absorption spectra, open-circuit voltage, reorganization energy, and binding energy value in selected molecules H1 to H5 . The 3D cross-shaped molecules H1 to H5 suppress the intermolecular aggregation in PTB7-Th blend, which leads to high efficiency of acceptor material H1 to H5 in OSCs. Consequently, better optoelectronic properties are achieved from designed molecules H1 to H5 . It is proposed that the conceptualized molecules are superior than highly efficient spirobifullerene core-based SF(BR) ₄ acceptor molecules and, thus, are recommended to experiments for future developments of highly efficient solar cells.     

NMR spectral analysis of strongly second-order 6-, 8-, 9- and 10- spin-systems (1H─19F, 19F─19F,and 13C─19F) in perfluorotoluyl- and tetrafluoro-pyridyl-aromatics using the lineshape method ANATOLIA

A simple to use nuclear magnetic resonance analysis method has been tested on complex ¹H, ¹⁹F, and ¹³C multiplets. This open-source line-shape analysis method analysis of total lineshape (ANATOLIA)¹ provides some significant advantages over traditional assign-iterate methods of NMR spectral analysis by avoiding false minima and progressing optimisation to the global minimum. The target molecules are 1-perfluorotol-4-yl-2-perfluorotol-4-yl-oxymethyl-1H-benzimidazole (molecule-I) and 1-tetrafluoropyrid-4-yl-2-tetrafluoropyrid-4-yl-thio-1H-benzimidazole (molecule-II) which were produced as part of a family of fluorinated drug scaffolds prepared for anticancer and antiparasitic screening. Spectra display significant second-order effects with ¹H Δδ = 3.68 and 4.67 Hz for the aromatic hydrogen “triplets”, with ¹⁹F ⁴J_AA', ⁴J_BB', ⁴J_XX', and ⁴J_YY' coupling constants range from +4.8 to −14.0 Hz and for ¹³C-isotopomers ¹⁹F Δδ of up to 111.56 Hz. A spin-system of six coupling nuclei (H_aH_bH_cH_d F_YF_Y') was analysed in 12 s, a spin-system of nine coupling fluorine nuclei (AA'BB'CCC-YY') was analysed within 2 min, and 10 coupling nuclei (XX'YY'ZZZ-BB'-H_d) was optimised in 6 min using a laptop computer. ANATOLIA was also robust enough to be able to yield accurate spectral values from inaccurate input values. In both compounds, a fluorine–fluorine coupling constant was identified between the two fluoro-aromatic rings (F_BB' and F_YY') of +4.05 and +4.67 Hz and attributed to a through-space interaction. Ab initio structure optimisations and coupling constant calculations provided useful input data for spectral analysis. A modern ¹⁹F nuclear magnetic resonance spectrum of perfluorotoluene (octafluorotoluene) and analysis from 1975 was used as a test data set to assess ANATOLIA.     

MOFs for desulfurization of fuel oil: Recent advances and future insights

Nowadays, desulfurization of fuel oil has raised concern globally because of strict industrial and environmental legislations. Albeit hydrodesulfurization (HDS) has been extensively used in oil refineries to produce low sulfur oil (< 10 ppm) but not been proven as effective method for the removal of dibenzothiophene (DBT), benzothiophene (TH) and their derivatives. Subsequently, adsorptive desulfurization (ADS) and oxidative desulfurization (ODS) methods have been developed to achieve high removal efficiency. In the past decade, metal–organic frameworks (MOFs) and its composites as oxidative catalysts, as well as adsorbents, have attracted the researchers owing to high surface area, tunable properties, and reusable. The present review comprises use of MOFs and their composites for the removal of sulfur from fuel oil via ODS and ADS processes. Additionally, physicochemical properties of MOFs, mechanism, pros and cons of both process, regeneration, and future challenges have been discussed briefly. Moreover, current limitations and future prospective are also discussed.     

Determination of Lambda-Cyhalothrin and Malathion Residues in Locust by Gas Chromatography with Electron Capture Detection

Journal of Analytical Chemistry - A reliable, easy, and reproducible method was developed for the quantification of λ-cyhalothrin and malathion residues in desert locust. For the extraction, a...     

A mathematical model for bioconvection flow of Williamson nanofluid over a stretching cylinder featuring variable thermal conductivity,activation energy and second-order slip

Journal of Thermal Analysis and Calorimetry - The significant bioconvection phenomenon with the utilization of nanoparticles encountered fundamental industrial and technological applications in...     

Thermal analysis of an Eyring–Powell fluid peristaltic transport in a rectangular duct with mass transfer

Journal of Thermal Analysis and Calorimetry - The present investigation establishes with analytical relevance for the thermal analysis in biological transport of Eyring–Powell fluid through a...