Kinetics of carbon steel dissolution in ammonium chloride solution containing sodium thiosulfate

The dissolution behavior of carbon steel in ammonium chloride (NH₄Cl) solution containing sodium thiosulfate (Na₂S₂O₃) of various concentrations (0.01 and 0.1 M) was investigated using electrochemical impedance spectroscopy (EIS) and other nonelectrochemical techniques. The weight loss and polarization measurements indicate a significant increase in the NH₄Cl corrosion rate of carbon steel on addition of Na₂S₂O_3. The EIS measurements exhibited two capacitive loops at multiple direct current (dc) potentials for both the concentrations. Electrical equivalent circuit (EEC) and reaction mechanism analysis (RMA) were employed to analyze the impedance data. A four-step mechanism with two intermediate adsorbate species of same charge was proposed to explain the dissolution behavior of carbon steel in the given system. The surface coverage values enumerated that the surface was entirely covered with adsorbed species unlike in the pure NH₄Cl system. Charge transfer resistance and polarization resistance values estimated from RMA parameters indicate the increase in a dissolution rate with dc potential. The surface morphology was inspected via field emission scanning electron microscopy, and the corrosion products including surface state of carbon steel electrode were analyzed using energy dispersive X-ray spectroscopy and X-ray photoelectron spectroscopy.     

An adaptive multilevel wavelet framework for scale‐selective WENO reconstruction schemes

We put forth a dynamic computing framework for scale‐selective adaptation of weighted essential nonoscillatory (WENO) schemes for the simulation of hyperbolic conservation laws exhibiting strong discontinuities. A multilevel wavelet‐based multiresolution procedure, embedded in a conservative finite volume formulation, is used for a twofold purpose. (i) a dynamic grid adaptation of the solution field for redistributing grid points optimally (in some sense) according to the underlying flow structures, and (ii) a dynamic minimization of the in built artificial dissipation of WENO schemes. Taking advantage of the structure detection properties of this multiresolution algorithm, the nonlinear weights of the conventional WENO implementation are selectively modified to ensure lower dissipation in smoother areas. This modification is implemented through a linear transition from the fifth‐order upwind stencil at the coarsest regions of the adaptive grid to a fully nonlinear fifth‐order WENO scheme at areas of high irregularity. Therefore, our computing algorithm consists of a dynamic grid adaptation strategy, a scale‐selective state reconstruction, a conservative flux calculation, and a total variation diminishing Runge‐Kutta scheme for time advancement. Results are presented for canonical examples drawn from the inviscid Burgers, shallow water, Euler, and magnetohydrodynamic equations. Our findings represent a novel direction for providing a scale‐selective dissipation process without a compromise on shock capturing behavior for conservation laws, which would be a strong contender for dynamic implicit large eddy simulation approaches.     

Divalent manganese,cobalt, copper and cadmium complexes of (Z)‐N‐benzoyl‐N′‐(1H‐1,2,4‐triazol‐3‐yl)carbamimidothioic acid: Preparation,characterization, computational and biological studies

In this work, (Z)‐N‐benzoyl‐N′‐(1H‐1,2,4‐triazol‐3‐yl)carbamimidothioic acid and its Mn(II), Co(II), Cu(II) and Cd(II) complexes were introduced for the first time. This carbonyl thiourea ligand was prepared by the reaction of 1H‐1,2,4‐triazol‐3‐amine with benzoyl isothiocyanate. The structural elucidation of these compounds was performed using elemental analysis and spectral and magnetic measurements. Octahedral structures of all complexes, except Cd(II) complex with a tetrahedral geometry, were confirmed by applying DFT structural optimization. The thermal decomposition behaviour of metal complexes of carbonyl thiourea ligand is discussed. The calculation of kinetic parameters for prepared complexes (E_a, A, ΔH*, ΔS* and ΔG*) of all thermal degradation stages has been evaluated using two comparable approaches. Antimicrobial and ABTS‐antioxidant studies indicated potent activity of Cd(II) complex compared with the other investigated compounds. The cytotoxic activity of the prepared compounds was investigated in vitro. The results indicated potent activity of Mn(II) complex against both HePG2 (liver carcinoma) and MCF‐7 (breast carcinoma) cancer cells.     

基于NPP-VIIRS夜间灯光数据的山西省GDP空间化模拟

选取山西省为研究对象，以美国国家极轨合作仪件-可见红外成像辐射计套件（NPP-VIIRS）夜间灯光数据、GDP统计数据等为数据源，构建GDP空间化拟合模型，建立山西省GDP密度图，据此研究山西省经济的空间差异性。通过对NPP-VIIRS夜间灯光数据的空间化处理，提取灯光指数，并将其与GDP进行回归拟合，建立最佳回归模型，得到GDP密度拟合图；利用县级GDP数据进行线性纠正，从而提高GDP的模拟精度。结果表明：（1）NPP-VIIRS夜间灯光数据与GDP的相关性较高，可用于山西省GDP模拟；（2）与GDP分区建模相比，GDP整体建模的精度更高；（3）山西省GDP的空间分布整体呈由城市中心逐渐向周边辐射的特点，构成GDP过渡带。     

Generalized Jacobi spectral Galerkin method for fractional pantograph differential equation

This work is concerned with the extension of the Jacobi spectral Galerkin method to a class of nonlinear fractional pantograph differential equations. First, the fractional differential equation is converted to a nonlinear Volterra integral equation with weakly singular kernel. Second, we analyze the existence and uniqueness of solutions for the obtained integral equation. Then, the Galerkin method is used for solving the equivalent integral equation. The error estimates for the proposed method are also investigated. Finally, illustrative examples are presented to confirm our theoretical analysis.     

Bifurcation analysis of visual angle model with anticipated time and stabilizing driving behavior

In the light of the visual angle model (VAM), an improved car-following model considering driver's visual angle, anticipated time and stabilizing driving behavior is proposed so as to investigate how the driver's behavior factors affect the stability of the traffic flow. Based on the model, linear stability analysis is performed together with bifurcation analysis, whose corresponding stability condition is highly fit to the results of the linear analysis. Furthermore, the time-dependent Ginzburg-Landau (TDGL) equation and the modified Korteweg-de Vries (mKdV) equation are derived by nonlinear analysis, and we obtain the relationship of the two equations through the comparison. Finally, parameter calibration and numerical simulation are conducted to verify the validity of the theoretical analysis, whose results are highly consistent with the theoretical analysis.     

Chiral one‐dimensional hydrogen‐bonded architectures constructed from single‐enantiomer phosphoric triamides

The two single‐enantiomer phosphoric triamides N‐(2,6‐difluorobenzoyl)‐N′,N′′‐bis[(S)‐(−)‐α‐methylbenzyl]phosphoric triamide, [2,6‐F₂‐C₆H₃C(O)NH][(S)‐(−)‐(C₆H₅)CH(CH₃)NH]₂P(O), denoted L‐1 , and N‐(2,6‐difluorobenzoyl)‐N′,N′′‐bis[(R)‐(+)‐α‐methylbenzyl]phosphoric triamide, [2,6‐F₂‐C₆H₃C(O)NH][(R)‐(+)‐(C₆H₅)CH(CH₃)NH]₂P(O), denoted D‐1 , both C₂₃H₂₄F₂N₃O₂P, have been investigated. In their structures, chiral one‐dimensional hydrogen‐bonded architectures are formed along [100], mediated by relatively strong N—H…O(P) and N—H…O(C) hydrogen bonds. Both assemblies include the noncentrosymmetric graph‐set motifs R₂²(10), R₂¹(6) and C₂²(8), and the compounds crystallize in the chiral space group P1. Due to the data collection of L‐1 at 120 K and of D‐1 at 95 K, the unit‐cell dimensions and volume show a slight difference; the contraction in the volume of D‐1 with respect to that in L‐1 is about 0.3%. The asymmetric units of both structures consist of two independent phosphoric triamide molecules, with the main difference being seen in one of the torsion angles in the OPNHCH(CH₃)(C₆H₅) part. The Hirshfeld surface maps of these levo and dextro isomers are very similar; however, they are near mirror images of each other. For both structures, the full fingerprint plot of each symmetry‐independent molecule shows an almost asymmetric shape as a result of its different environment in the crystal packing. It is notable that NMR spectroscopy could distinguish between compounds L‐1 and D‐1 that have different relative stereocentres; however, the differences in chemical shifts between them were found to be about 0.02 to 0.001 ppm under calibrated temperature conditions. In each molecule, the two chiral parts are also different in NMR media, in which chemical shifts and P–H and P–C couplings have been studied.     

Promotion of a quality standard for Porana sinensis Hemsl. based on the efficacy-oriented Effect-Constituent Index

Multicompound determination for the quality control of traditional Chinese medicine (TCM) may often be inadequate, since these compounds may not be associated with, or fully represent, the clinical effects of TCM. Moreover, the individual contributions of each constituent to the pharmacological effect are often not considered. In China, Porana sinensis is widely used as a substitute for Erycibe sources to treat joint pain and rheumatoid arthritis. The existing quality control methods for P. sinensis neither consider the individual contributions of various compounds nor control the actual quality associated with different clinical efficacies. In the present study, a novel efficacy-oriented approach, named the effect-constituent index (ECI), was established for P. sinensis. Analyses of the spectrum–effect relationship and components in rat plasma were conducted to systematically and scientifically select quality markers. Quantitative analysis of multicomponents via a single marker method was introduced to enhance the practical application value of the established ECI. The established ECI shows a good ability to distinguish and predict the bioeffect-based quality of P. sinensis. The present study also provides a reference for the establishment and application of ECI as a quality control method for TCMs.     

Aeroelastic analysis of cantilever plates using Peters’ aerodynamic model,and the influence of choosing beam or plate theories as the structural model

In this paper, the aeroelastic analyses of a rectangular cantilever plate of varying aspect ratio is presented. The classical plate theory has been selected as the structural model. The main point that distinguishes this study from previously reported research is employing Peters’ theory to model aerodynamic effect which is not straightforward. The Peters’ aerodynamic model was originally developed to provide lift and moment, which is only applicable to the structural model based on the beam theories. In this study, using the basic concept of the Peters’ aerodynamic model in addition to utilizing the Fourier series, the pressure distribution is derived, which makes Peters’ model applicable to structural models based on plate theory. This combination provides a much simpler state–space aeroelastic model for plates in comparison to the prevalent panel methods, which could lead to a significant reduction in computational time. In addition, the aeroelastic response of the plate with respect to changes in the structural model from the beam theory to the plate theory is evaluated. By using data from an experiment carried out at Duke University, the theoretical results are evaluated. Furthermore, the differences in structural models obtained from the plate and beam theories can be divided into two distinct parts, which are responsible for differences in bending and torsional behaviors of the structure, separately. This approach enables us to measure the effects of differences of each behavior separately, which could provide with a new insight into the problem. It has been determined that the flutter speeds obtained from the beam and plate aeroelastic models are little affected by the difference in bending behavior, but rather is mainly caused by the difference in torsional frequencies.