基于Matlab GUI的微观化学反应过程可视化设计

Based on the quasi-classical trajectory (QCT) method and Matlab GUI technology, we developed a program code for visualizing the collision process of the elementary chemical reactions of the a + bc type. The general methodology of QCT, abstraction of dynamical properties of molecular collisions and the making of Graphical User Interface are introduced. The running results of an application to the reaction F + HCl→HF + Cl is also presented. The results showed that this program could vividly demonstrate the behavior and final state of the atom-diatom collision process in animated form. Students can interact with internal MATLAB code through graphical user interface, observe the reactive behavior and final results in real-time from multiple angles, which helps students to understand the complex reaction mechanism and deepen their perceptual impression of the chemical process at a microscopic atomic/molecular level.     

The impact of environmental regulations on forest product trade in China

Forest product trade plays an important role in the development of the Chinese forest industry. The trading value of forest product has shown a yearly growth rate of 12% during the last five recent years. Stringent environmental regulations in China have a profound impact on raw material supplies and industrial production in the forest sector; however, their impact on the forest product trade is still unclear. This study applies fixed and random effects models as well as a seemingly unrelated regression model to investigate the impact of environmental regulations on the trade of forest product from 2002 to 2015. The results indicate that the stringent environmental regulations promoted the import but restricted the export of forest product in general. Specifically, the stringent environmental regulations stimulated the import but had an ambiguous impact on the export of the paper product. The stringent environmental regulations had also stimulated the import of wood product but inhibited the export. In contrast, wooden furniture had been affected minimally; only export got slightly negatively affected by environmental regulations. Recommendations for resource managers:

• Trade‐offs between economic growth and environmental regulations are needed to smoothly promote the forest product trade in China.
• Paper and wooden furniture product sectors are less likely to be affected by stringent environmental regulations, because high value‐added products could compensate for environmental costs.
• The wood product sector is more likely to be negatively affected by stringent environmental regulations because environmental costs could severely impact the competitiveness of low value‐added products.

     

Ground state cooling of an optomechanical resonator with double quantum interference processes

We present a cooling scheme with a tripod configuration atomic ensemble trapped in an optomechanical cavity.With the employment of two different quantum interference processes,our scheme illustrates that it is possible to cool a resonator to its ground state in the strong cavity-atom coupling regime.Moreover,with the assistance of one additional energy level,our scheme takes a larger cooling rate to realize the ground state cooling.In addition,this scheme is a feasible candidate for experimental applications.     

SOCP reformulation for the generalized trust region subproblem via a canonical form of two symmetric matrices

Mathematical Programming - We investigate in this paper the generalized trust region subproblem (GTRS) of minimizing a general quadratic objective function subject to a general quadratic inequality...     

High-reflectivity non-periodic sub-wavelength gratings with small-angle beam-steering ability and its application in Fabry–Perot cavity

We report a high-reflectivity non-periodic sub-wavelength gratings (SWGs) mirror with small-angle beam-steering ability for reflect light. It presents a distinctive characteristic of flexibly controlling the width of oscillation optical field for the improved Fabry–Perot (F–P) cavity. We propose a detailed principle analysis of the improved cavity. By finding out a set of SWGs with the designed structural parameters, both high reflectivity (>?93%) and beam steering (1°) can be implemented. By setting beam-steering angle and cavity length, we can control the width of oscillation optical field in the improved cavity. Beam steering ability and property of controlling the oscillation width are numerically investigated by finite element method. Simulation results prove that cavity length and steering angle can effectively control the main width of oscillation optical field, and the width is linearly associated with the cavity length.     

Cycloparaphenylene and their radicals anchored to a metal−organic framework

Cycloparaphenylene (CPP) shows modulated photophysical and electronic properties due to its strained structure and radially oriented π-electron system. Incorporation of CPP into metal-organic frameworks (MOFs) could transfer its extensive properties in solution to porous solids. Moreover, with the unique arrangement of the macrocycles and their interactions with the framework, emerging characteristics are anticipated. As an example of “robust dynamics”, we synthesized the first MOF structure (FDM-1001) with CPP precisely anchored to the ordered framework by employing a [8]CPP-containing linear dicarboxylate linker. Metric relationship between the dynamic macrocycles and the robust backbone creates ideal π-π interactions between them, which leads to an essentially directional arrangement of [8]CPP in the three-dimensional space. Furthermore, the MOF with [8]CPP could be successfully oxidized to generate an infinite array of radicals that show enhanced air stability compared to its molecular analogue.     

Preparation of hydrophilic poly(vinylidene fluoride) membrane by in-situ grafting of N-vinyl pyrrolidone via a reactive vapor induced phase separation procedure

Increasing hydrophilicity of hydrophobic membrane is one of the strategies to improve its antifouling performance. Herein we report a procedure of reactive-vapor induced phase separation to prepare an N-vinyl pyrrolidone (NVP) modified poly(vinylidene fluoride) (PVDF) membrane to improve its hydrophilicity. PVDF solution containing NVP monomer was cast in ammonia water vapor atmosphere to prepare the modified membrane. During the process, PVDF was dehydrofluorinated by the reactive vapor of ammonia water to generate double bond of FC═CH, and then NVP was grafted. The degree of grafting modification and the microstructure evolution of the membrane were studied by adjusting the amount of NVP addition. A possible mechanism of membrane formation from crystallization gelling to non-crystallization gelling has been proposed to understand the morphology change from nodular sphere to bi-continuous microstructure with fibril matrix. It has been found that rising the degree of modification has changed the polymorph of PVDF from β to α crystalline phase, as well as turned the hydrophobic PVDF membrane into hydrophilic. Moreover, the modified membrane displayed obvious reduction in bovine serum albumin adsorption, suggesting improvement in anti-fouling performance. Therefore, our work provides an easy strategy to prepare hydrophilic PVDF membrane, which may have promising potential applications.     

利用静电场中光电离效率谱精确确定1,3-二乙氧基苯分子的电离能

电离能是原子和分子的重要的特性参数,在光物理和光化学过程中起着重要作用,精确电离能对相关研究具有重要意义.电离能是调试零动能光谱信号的重要参考数据,在判断异构物数量和分子构型方面也起着关键作用.1,3-二乙氧基苯是一种重要的苯的衍生物,实验证实在超声分子束中包含两种旋转异构物Ⅰ(downup)和Ⅲ(down-down).它们的精确电离能还未见文献报道.本文采用直线式飞行时间质谱仪测量了静电场中1,3-二乙氧基苯光电离效率曲线,通过不同电场强度下测量的电离能(Stark效应)对场强的平方根线性拟合给出了两种异构物Ⅰ和Ⅲ精确的电离能分别为(62419±2)cm^–1和(63378±2)cm^–1.相对于通常的脉冲电场加速机制和零动能光谱测量的电离能,精确度大约分别由(±10)cm^–1和(±5)cm^–1提高到(±2)cm^–1.分析和讨论了不同方法测量的物理机制和优缺点.     

High Performance of PVA Nanocomposite Reinforced by Janus-like Asymmetrically Oxidized Graphene: Synergetic Effect of H-bonding Interaction and Interfacial Crystallization

Chinese Journal of Polymer Science - Macromolecule nanocrystal network and strong interfacial interaction are always beneficial to enhance the mechanical property of polymer-based nanocomposites....