一种新型核壳型色谱固定相在高效液相色谱中的评价及应用

采用扫描电镜、透射电镜和氮气吸附法对制备的新型核壳型色谱固定相进行了表征,结果表明该固定相单分散性好、表面放射状孔道壳层结构均一、孔径分布窄。对该核壳材料的表面进行C18键合修饰,考察其基本色谱性能,色谱柱的理论塔板数超过150000块/m,色谱峰峰形对称,甲苯与乙苯的保留因子之比为1.45,亚甲基选择性优异。将该核壳材料应用于汽车尾气中醛酮类化合物的检测,在优化的色谱条件下,2,4-二硝基苯肼（DNPH）衍生的醛酮类化合物在15 min内获得了较好的分离效果。该核壳型C18色谱固定相具有分离速度快、选择性好、柱效高等特点,适于复杂样品的高效、快速分离分析。     

Hydrogen storage in Li-doped fullerene-intercalated hexagonal boron nitrogen layers

New materials for hydrogen storage of Li-doped fullerene (C₂₀, C₂₈, C₃₆, C₅₀, C₆₀, C₇₀)-intercalated hexagonal boron nitrogen (h-BN) frameworks were designed by using density functional theory (DFT) calculations. First-principles molecular dynamics (MD) simulations showed that the structures of the C _n -BN (n = 20, 28, 36, 50, 60, and 70) frameworks were stable at room temperature. The interlayer distance of the h-BN layers was expanded to 9.96–13.59 Å by the intercalated fullerenes. The hydrogen storage capacities of these three-dimensional (3D) frameworks were studied using grand canonical Monte Carlo (GCMC) simulations. The GCMC results revealed that at 77 K and 100 bar (10 MPa), the C₅₀-BN framework exhibited the highest gravimetric hydrogen uptake of 6.86 wt% and volumetric hydrogen uptake of 58.01 g/L. Thus, the hydrogen uptake of the Li-doped C _n -intercalated h-BN frameworks was nearly double that of the non-doped framework at room temperature. Furthermore, the isosteric heats of adsorption were in the range of 10–21 kJ/mol, values that are suitable for adsorbing/desorbing the hydrogen molecules at room temperature. At 193 K (–80 °C) and 100 bar for the Li-doped C₅₀-BN framework, the gravimetric and volumetric uptakes of H₂ reached 3.72 wt% and 30.08 g/L, respectively.     

利用Landsat热红外数据研究1985年—2015年北京市冬季热场分布

由于北京城市中心区冬季供暖、汽车尾气、工业生产等因素的影响,以及冬季植被覆盖减少导致地表热惯量降低,致使北京市冬季地表热场与其他季节差异明显。冬季城市热场分布直接影响冬季大气颗粒物等污染物的扩散速度,因此,研究热场分布对了解城市热场在大气颗粒物污染中的贡献具有重要的意义。首先利用MODTRAN大气辐射传输模型计算大气透过率、大气上行辐射与大气下行辐射三个关键参数,通过构建查找表解算热红外波段辐射传输方程。使用数据模拟的手段评价了该方法的精度,结果表明,当比辐射率和水汽分别在±0.005和±0.6的误差范围内波动时,温度反演的误差分别小于0.348和2.117 K,表明该方法可达到较高的反演精度。选择长时间序列Landsat TM、ETM+数据,进行地表温度反演,得到1985年—2015年北京市的地表温度。基于反演的地表温度分析了北京市热场的时空分布。结果表明,北京冬季热场分布在空间上可分为四个层次：北京市二环内温度较高、二环到五环内低温环状特征明显、外围郊区温度高以及北京西部的山区温度最低;随着近30年来北京市的快速发展,热场分布在长时间序列中发生了明显的改变：随着北京城市的不断扩张,环状低温区域也不断扩大,从三环扩展到六环;城市二环以内热岛效应随时间推移而增强,且分布范围扩大。     

可见/近红外光谱的油茶籽油三元体系掺假检测模型优化

采用可见/近红外光谱技术结合化学计量学方法对油茶籽油三元体系掺假进行定量检测研究。将菜籽油和花生油按不同比例掺入纯油茶籽油中,获得掺假样本。采集纯油茶籽油及掺假样本在350~1 800 nm范围内的可见/近红外光谱数据,随机分为校正集和预测集,并从不同建模波段、预处理方法及建模方法角度对掺假预测模型进行优化。研究结果表明,菜籽油、花生油和总掺伪量的最优建模波段及预处理方法分别为750~1 770,900~1 770 ,870~1 770 nm和多元散射校正(MSC)、标准归一化处理(SNV)和二阶微分,而最优的建模方法均为最小二乘支持向量机(LSSVM)。对于最优掺假模型,菜籽油、花生油和总掺伪量的预测集相关系数(R_p)和预测均方根误差(RMSEP)分别为0.963,0.982,0.993和2.1%,1.5%,1.8%。由此可见,可见/近红外光谱技术结合化学计量学方法可以用于油茶籽油的三元体系掺假定量检测。     

Mechanical properties of jammed packings of frictionless spheres under an applied shear stress

By minimizing a thermodynamic-like potential, we unbiasedly sample the potential energy landscape of soft and frictionless spheres under a constant shear stress. We obtain zero-temperature jammed states under desired shear stresses and investigate their mechanical properties as a function of the shear stress. As a comparison, we also obtain the jammed states from the quasistatic-shear sampling in which the shear stress is not well-controlled. Although the yield stresses determined by both samplings show the same power-law scaling with the compression from the jamming transition point J at zero temperature and shear stress, for finite size systems the quasistatic-shear sampling leads to a lower yield stress and a higher critical volume fraction at point J. The shear modulus of the jammed solids decreases with increasing shear stress. However, the shear modulus does not decay to zero at yielding. This discontinuous change of the shear modulus implies the discontinuous nature of the unjamming transition under nonzero shear stress, which is further verified by the observation of a discontinuous jump in the pressure from the jammed solids to the shear flows. The pressure jump decreases upon decompression and approaches zero at the critical-like point J, in analogy with the well-known phase transitions under an external field. The analysis of the force networks in the jammed solids reveals that the force distribution is more sensitive to the increase of the shear stress near point J. The force network anisotropy increases with increasing shear stress. The weak particle contacts near the average force and under large shear stresses it exhibit an asymmetric angle distribution.     

An ensemble template algorithm for extracting targets from blurred infrared images

In this paper, an ensemble template algorithm is proposed to extract targets from blurred infrared images. First, the image pixels are divided according to their gray values into three pixel sets, a target set, a background set and the third set without class label. Second, the neighborhood statistical characteristics for each pixel are calculated as its template features. Third, ensemble detectors are designed using target pixels and background pixels based on their template features, and these ensemble detectors are used to detect the third pixel set. To evaluate the performance of the proposed extraction algorithm, this paper compares the ensemble template with other extraction algorithms using blurred infrared image of hand trace. Experimental results show that the ensemble template algorithm proposed in this paper exhibits better extraction performance.     

Synchronization of time varying delayed complex networks via impulsive control

In this paper, we investigate the problem of synchronization for the time varying delayed complex dynamical networks via impulsive control method, several sufficient synchronization conditions are given, and we consider the impulsive control matrices are time varying delayed matrices. Furthermore, we found impulsive control does not always play an active role in synchronization although impulsive control strategy is cheaper and simpler than other control strategy. Finally, numerical simulations are also given to demonstrate the effectiveness of the proposed schemes.     

基于煅耗散最小的超临界二氧化碳传热优化研究

换热器性能的优化,不但能够强化传热减小阻力,而且能够节约能源和减少环境污染,这在能源日益短缺的今天具有重要的经济价值和社会效益。本文通过编程迭代的方法,对文献中的(火积)耗散均匀分布原则(EoED)和温差均匀分布原则(EoTD)略做改进,使改进后的两种优化原则更好地与实际应用相结合。基于改进后的两种优化原则,分析比较了二氧化碳在不同进口质量流量下,两种原则优化的效果.结果表明,从有效度、煅耗散数等沿管长Z方向的大小变化,显示(火积)耗散均匀分布原则优化结果明显优于温差均匀分布原则,表明煅耗散均匀分布原则的传热效率高于温差均匀分布原则.     

An Easily Switchable Dual-Wavelength Passively Mode-Locked Erbium Fiber Laser

A simple scheme of switchable dual-wavelength passively mode-locked fiber laser is demonstrated. The laser can be flexibly switched among different mode-locked states simply by tuning the cavity loss while keeping all the other cavity parameters fixed. As the cavity loss increases, the mode-locked fiber laser operates at the long-wavelength, dual-wavelength, and short-wavelength states, successively. In addition, these states can be conveniently switched without losing the mode-locked operation and the switching process is reversible as the cavity loss decreases. The mechanism is qualitatively explained by the balance between the fiber gain and the cavity loss.     

用于混沌时间序列预测的组合核函数最小二乘支持向量机

针对混沌时间序列的预测问题,考虑到单一核函数的最小二乘支持向量机无法明显提高预测精度,提出了一种组合核函数的最小二乘支持向量机预测模型,模型中采用多项式函数与径向基函数组合构建核函数.同时,还对遗传算法进行了改进,使之具有更快的收敛速度和更高的精度,改进的遗传算法适用于解决预测模型中的参数优化问题.通过典型的Lorenz时间序列、Mackey-Glass时间序列、太阳黑子数时间序列以及具有混沌特性的网络流量时间序列对该模型进行了验证.仿真结果表明所提出的模型是有效的.