A Carbocationic Triarylmethane-Based Porous Covalent Organic Network

A thermally stable carbocationic covalent organic network (CON), named RIO-70 was prepared from pararosaniline hydrochloride, an inexpensive dye, and triformylphloroglucinol in solvothermal conditions. This nanoporous organic material has shown a specific surface area of 990 m² g⁻¹ and pore size of 10.3 Å. The material has CO₂ uptake of 2.14 mmol g⁻¹ (0.5 bar), 2.7 mmol g⁻¹ (1 bar), and 6.8 mmol g⁻¹ (20 bar), the latter corresponding to 3 CO₂ molecules adsorbed per pore per sheet. It is shown to be a semiconductor, with electrical conductivity (σ) of 3.17×10⁻⁷ S cm⁻¹, which increases to 5.26×10⁻⁴ S cm⁻¹ upon exposure to I₂ vapor. DFT calculations using periodic conditions support the findings.     

Macromodeling of high-speed interconnects by positive interpolation of vertical segments

In this paper a novel macromodeling scheme is presented to model the per unit of length (p.u.l.) parameters of uniform transmission lines. In particular, it is focused on single on-chip interconnects, because their p.u.l. parameters are influenced by the presence of semiconductor (s) and as such exhibit a strong frequency-dependency, making the modeling process harder. Starting from a set of very accurate tabulated data samples, obtained by two-dimensional electromagnetic modeling, rational models for the four p.u.l. parameters are constructed. The novelty of the approach lies in the fact that the rational models are positive by construction and that a controllable accuracy is obtained. These models can then further be used to construct multivariate models, e.g., for variability analysis. Here, the novel scheme is applied to an on-chip inverted embedded microstrip line, of which the signal integrity behavior is assessed in both the frequency and the time domain, demonstrating the applicability of the macromodels.     

Modelling and simulation of gas dynamics in an exhaust pipe

The gas dynamics in an exhaust pipe is studied. In particular we focus on the warm up of the catalytic converter in very short times after the engine start. This is done by combustion a small unburnt part of the exhaust gas. This process is classically modelled by gas dynamic equations. Compared to the existing literature we improve the (one-dimensional) modelling approach using a small Mach number technique and a network ansatz for the full exhaust pipe. The final simplified model on one hand still describes the main features and on the other hand it is computationally a few orders of magnitude faster than the original model. Performing numerical simulations we compare the new model to the (classical) full model and to experimental results in the literature.     

Induced twisted-grain-boundary phases in the binary mixtures of a cholesteric and a nematic compound

Thermodynamical, optical-texture and dielectric studies have been performed to study the phase diagram of the binary system of 5-cholesten-3β-ol-octanoate and 4-n-nonyloxybenzoic acid. It is observed that low concentrations of 5-cholesten-3β-ol-octanoate (2–30?mol?%) in 4-n-nonyloxybenzoic acid induce a mean-field phase diagram derived by Renn within the framework of the chiral Chen–Lubenski model. Various optical textures of the twisted-grain-boundary (TGB) phases under different conditions of molecular anchoring have been observed. Weak transitions related to the TGB phases have been detected by temperature dependent dielectric spectroscopy.     

Issue Information

An integrated finite element method (FEM) is proposed to simulate incompressible two‐phase flows with surface tension effects, and three different surface tension models are applied to the FEM to investigate spurious currents and temporal stability. A Q2Q1 element is adopted to solve the continuity and Navier–Stokes equations and a Q2‐iso‐Q1 to solve the level set equation. The integrated FEM solves pressure and velocity simultaneously in a strongly coupled manner; the level set function is reinitialized by adopting a direct approach using interfacial geometry information instead of solving a conventional hyperbolic‐type equation. In addition, a consistent continuum surface force (consistent CSF) model is utilized by employing the same basis function for both surface tension and pressure variables to damp out spurious currents and to estimate the accurate pressure distribution. The model is further represented as a semi‐implicit manner to improve temporal stability with an increased time step. In order to verify the accuracy and robustness of the code, the present method is applied to a few benchmark problems of the static bubble and rising bubble with large density and viscosity ratios. The Q2Q1‐integrated FEM coupled with the semi‐implicit consistent CSF demonstrates the significantly reduced spurious currents and improved temporal stability. The numerical results are in good qualitative and quantitative agreements with those of the existing studies. Copyright © 2015 John Wiley & Sons, Ltd.     

X-ray study of the reentrant modulated phase of Bis-Propylammonium Tetrachlorocuprate(II) at high temperature

The modulated phase of (C₃H₇NH₃)CuCl₄ stable between 386 and 412 K has been analyzed by single-crystal X-ray diffraction. The structure was solved in the frame of the superspace group approach. The modulation is characterized by a wavelike displacement of the CuCl₄ layer.     

A comparative study on low‐order,amplitude‐equation and perturbation approaches in thermal convection

A comparison among three weakly nonlinear approaches for thermo‐gravitational instability in a Newtonian fluid layer heated from below is presented. First, the dynamical systems describing the time evolution of the problem from different weakly nonlinear approaches, namely, the Lorenz model, the amplitude equations and the perturbation expansion approaches are obtained. Next, the steady states and their stability, as well as the transient behaviour are obtained from each dynamical system. The similarity and difference among the three models are emphasized. The role of each of the nondimensional groups, the Rayleigh number and the Prandtl number is compared for the three models. The different approaches lead to similar behaviours when the Rayleigh number is just above its critical value and Prandtl number is high. However, only the dynamical system obtained from the amplitude equations is able to reflect the role of the Prandtl number. On the other hand, the amplitude equations and perturbation expansion techniques are not suitable for predicting the uniform oscillatory behaviour observed frequently in Rayleigh–Bénard convection. The novelty of the current work lies in studying the critical differences in the findings of the three popular approaches to investigate weakly nonlinear thermal convection for the first time. Copyright © 2011 John Wiley & Sons, Ltd.     

灰色Verhulst神经网络组合预测区域空域流量

能够对区域空域的流量做出准确的预测,可以为空中交通管理部门协调航班运行,减缓空域内航路的拥堵提供重要依据.运用灰色Verhulst模型与神经网络的组合模型对区域航班流量进行预测,并结合华东地区飞行流量的数据样本训练并测试模型.结果显示,由组合模型得出的流量预测值与实际值较吻合,说明组合模型比单种预测方法能够更为准确地对区域空域流量做出预测.     

Synthesis and applications of a novel supramolecular polymer network with multiple H‐bonded melamine pendants and uracil crosslinkers

A conjugated main‐chain copolymer ( PBT ) consisting of bithiazole, dithieno[3,2‐b:2′,3′‐d]pyrroles (DTP), and pendent melamine units was synthesized by Stille polymerization, which can be hydrogen‐bonded (H‐bonded) with proper molar amounts of bi‐functional π‐conjugated crosslinker F (i.e., two uracil motifs covalently attached to a fluorene core through triple bonds symmetrically) to develop a novel supramolecular polymer network ( PBT/F ). The effects of multiple H‐bonds on light harvesting capabilities, HOMO levels, and photovoltaic properties of polymer PBT and H‐bonded polymer network PBT/F are investigated. The formation of supramolecular polymer network ( PBT/F ) between PBT and F was confirmed by FTIR and XRD measurements. Because of the stronger light absorption, lower HOMO level, and higher crystallinity of H‐bonded polymer network PBT/F , the solar cell device containing PBT/F showed better photovoltaic properties than that containing polymer PBT . The preliminary results show that the solar cell device containing 1:1 weight ratio of PBT/F and [6,6]‐phenyl C₇₁ butyric acid methyl ester (PC₇₁BM) offers the best power conversion efficiency (PCE) value of 0.86% with a short‐circuit current density (J_sc) of 4.97 mA/cm², an open circuit voltage (V_oc) of 0.55 V, and a fill factor (FF) of 31.5%. © 2011 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2012