Computational simulation of Belousov–Zhabotinskii oscillating chemical reaction

The suitability of computational simulation of the Belousov–Zhabotinskii oscillating chemical reaction by differential kinetic methodology for resolving nonlinear multi-component system is demonstrated in this work. According to the Field–KÖrÖs–Noyes mechanism and the Oregonator model, the change of the concentrations of HBrO₂, bromide ion and cerium ion are simulated. The results of computational simulation are consistent with experimental results very well. At the same time, the effect of variables and parameters, especially the rate constant on the oscillation curve, are investigated deeply. A simple method of estimating rate constants is obtained through simulation the concentrations of key components of the system, and then comparison the simulation results with the experimental ones. The reasonable rate constant is also proposed.     

2D Bi2O2Te Semiconductor with Single-Crystal Native Oxide Layer

Following logic in the silicon semiconductor industry, the existence of native oxide and suitable fabrication technology is essential for 2D semiconductors in planar integronics, which are surface-sensitive to typical coating technologies. To date, very few types of integronics are found to possess this feature. Herein, the 2D Bi₂O₂Te developed recently is reported to possess large-area synthesis and controllable thermal oxidation behavior toward single-crystal native oxides. This shows that surface-adsorbed oxygen atoms are inclined to penetrate across [Bi₂O₂]_n²ⁿ⁺ layers and bond with the underlying [Te]_n²ⁿ⁻ at elevated temperatures, transforming directly into [TeO₄]_n²ⁿ⁻ with the basic architecture remaining stable. The oxide can be adjusted to form in an accurate layer-by-layer manner with a low-stress sharp interface. The native oxide Bi₂TeO₆ layer (bandgap of ≈2.9 eV) exhibits visible-light transparency and is compatible with wet-chemical selective etching technology. These advances demonstrate the potential of Bi₂O₂Te in planar-integrated functional nanoelectronics such as tunnel junction devices, field-effect transistors, and memristors.     

5种药用植物挥发油对仓库害虫生物活性的研究

研究了香薷、鹤虱等５种药用植物挥发油对仓虫的生物活性作用。结果表明,香薷挥发油的作用最为明显,它（剂量０２μＬ／ｇ）及其粗分离１＃～５＃样品（剂量００５μＬ／ｇ）均有效地抑制了试虫卵、幼虫及成虫的生长发育,从而减少了试虫Ｆ１代种群的发生,其中粗分离１＃样品作用尤为突出。香薷挥发油１＃～５＃样品的主要化学成分为４,５,６,７,８,８ａ－六氢－８ａ－甲基－２［１Ｈ］－奥酮（５２６４％）、百里香酚（３０５％）和一未定成分（２１９２％）。     

案例教学在C#.NET中的应用

在当今社会,传统的教学方式和手段使学生对C#.NET这门课程普遍感觉枯燥无味,难以达到良好的教学效果,只有采用良好的教学模式才能够激发学生学习的主动性、能够激发学生学习的热情。该文谈谈怎样使用案例教学培养学生的兴趣,培养学生的动手实践能力和创造能力,掌握C#.NET编程技术。     

Optimization of optical lens-controlled scanning electron microscopic resolution using generalized regression neural network and genetic algorithm

A scanning electron microscope (SEM) is a sophisticated equipment employed for fine imaging of a variety of surfaces. In this study, prediction models of SEM were constructed by using a generalized regression neural network (GRNN) and genetic algorithm (GA). The SEM components examined include condenser lens 1 and 2 and objective lens (coarse and fine) referred to as CL1, CL2, OL-Coarse, and OL-Fine. For a systematic modeling of SEM resolution (R), a face-centered Box–Wilson experiment was conducted. Two sets of data were collected with or without the adjustment of magnification. Root-mean-squared prediction error of optimized GRNN models are GA 0.481 and 1.96×10^-12 for non-adjusted and adjusted data, respectively. The optimized models demonstrated a much improved prediction over statistical regression models. The optimized models were used to optimize parameters particularly under best tuned SEM environment. For the variations in CL2 and OL-Coarse, the highest R could be achieved at all conditions except a larger CL2 either at smaller or larger OL-Coarse. For the variations in CL1 and CL2, the highest R was obtained at all conditions but larger CL2 and smaller CL1.     

引入计算机辅助教学 促进高等数学改革

根据"高等数学"教学目前的实际情况,结合自己的教学经验,阐述引入计算机辅助教学的优点,提出将传统教学和计算机辅助教学相结合时自己的认识和建议。     

关于高校计算机基础课程实验的研究

计算机技术的迅速发展与广泛应用,已使其成为每位高校学生的必修课。计算机基础课程的实验教学具有专业性强、应用性广的重要特点。由于各院系专业多、实验内容、要求不同,怎样加强实验教学,如何科学的设计和组织实验课,将直接影响至计算机实验教学效果和学生动手能力的培养。经过多年的实践,这里总结出一套适应院系计算机基础课程的实验教学的模式,并取得较好的教学效果。     

模拟化学实验软件——Medel Chemlab

本文简单介绍了模拟化学实验软件Medel Chemlab的内容,功能和特点。     

《化学反应工程》多媒体课件的开发及应用

本文介绍用VB语言开发《化学反应工程》多媒体课件的性能特点,讨论实现中的一些主要技术及课件的使用情况。     

Semiempirical and ab initio conformational analysis of 2-methylene-8,8-dimethyl-1,4,6,10-tetraoxaspiro[4.5] decane with application of GIAO-SCF methods to NMR spectrum interpretation

The GIAO-SCF method for calculating isotropic nuclear magnetic shielding values has been utilized to explain certain features in the ¹H-NMR spectrum of 2-methylene-8,8-dimethyl-1,4,6,10-tetraoxaspiro[4.5] decane. Population distributions of the low-energy conformers based on their ab initio energies were used to produce weighting factors for the individual calculated shielding values to calculate the weighted average of the shielding values for a complete set of conformers. The differences in ¹H chemical shifts between the hydrogens of the two methyl groups and between the axial and equatorial hydrogens in 2-methylene-8,8-dimethyl-1,4,6,10-tetraoxaspiro[4.5] decane were shown to be due to energy differences between the chair and boat orientations of the six-membered ring and contribution from a twist-boat conformation. Results suggest a hypothesis that intramolecular differences in chemical shift might be calculated to a greater degree of accuracy than chemical shifts calculated relative to a standard.