Theory of vibronic interactions in D2 and H2: a comparison between multichannel-quantum-defect and coupled-equation approaches

New experimental energy levels for the 2pπC(1)Π(u)(-) state of D(2) are reported extending up to the dissociation limit and including rotational quantum numbers up to N = 10. These data are extracted from recent high resolution optical emission spectra, and they are used for a detailed comparison of two theoretical approaches, both of which are fully ab initio and are based on the same state-of-the-art clamped-nuclei potential energy curves. These are the coupled differential equations (CE) and the multichannel quantum defect theory (MQDT) approaches, each of which accounts for adiabatic corrections and non-adiabatic couplings. Both theoretical approaches reproduce the experimental levels to within a fraction of a wavenumber unit (cm(-1)) for the lower vibrational quantum numbers, with the MQDT surpassing the CE method. As the dissociation limit is approached, the residuals observed-calculated increase up to several cm(-1) and the MQDT method is up to a factor of two less accurate than the CE method. The same analysis is carried out with existing data for the H(2) isotopomer and yields similar results. An analogous comparison is also made for the 3pπD(1)Π(u)(-) and 4pπD('1)Π(u)(-) states for both isotopomers, where the MQDT is found to be superior to the CE approach.     

A quantitative analysis of recombination data in high magnetic fields

Magnetic field effects on the hydrogen abstraction reaction of 4-methoxybenzophenone with thiophenol in several solvents of different viscosity have been reported, and the observed magnetic field dependence was explained as caused by the Δg and a polarized initial triplet radical pair state. The present work reports a quantitative analysis of the data based on a recently derived general analytical formula. It is found that the observed magnetic field dependence can be explained as originating from an unpolarized triplet state, if both the coherent mixing caused by different g values of the two radicals and the incoherent mixing due to spin relaxation are included. Several different expressions for the magnetic field dependence of the longitudinal and transverse relaxation rates were applied. Rather surprisingly, the different models gave almost identical fits. However, the values obtained of the microscopic parameters depended significantly on the model. Physically sensible parameter values were obtained only when the complete magnetic field dependence of the two relaxation times were used. For this model it was found that both the anisotropy factor of the g tensors and the diffusion coefficient agreed with expectations.     

Helmholtz free energy of a multilayer system of highly charged plates immersed in an electrolyte

The Helmholtz free energy of highly charged plates immersed in an electrolyte solution in a finite container is investigated using mean field theory. Exact solutions of the Poisson-Boltzmann equation under Dirichlet and Neumann boundary conditions lead to analytical expressions for the free energies. Adiabatic potentials of the charged plates, which are derived from the free energy, have long-range weak attractive parts and medium-range strong repulsive parts, irrespective of the type of boundary conditions. The repulsion results mainly from the osmotic pressure of the excess ions trapped between the plates by the large surface charges and the attraction arises essentially from an electric pull from the intermediate cloud of excess counterions shared by the plates.     

化学计量学二阶校正方法结合高效液相色谱用于蜂蜜中10种酚酸类物质的快速定量分析

利用化学计量学二阶校正方法结合高效液相色谱对枣花蜜中10种酚酸类物质的快速定量分析进行了研究。首先通过验证样本研究了所建立模型的准确性。结果显示:10种酚酸类物质的线性相关系数(R)为0.998 2～0.999 9,平均回收率为97.6%～101.1%,说明所建立的模型稳定可靠。其次,通过模拟蜂蜜试验,确定了固相萃取柱的种类及操作条件(HLB柱,酸化水淋洗,甲醇洗脱)。最后,利用模拟蜂蜜得到的最优条件结合化学计量学二阶校正方法,测定了枣花蜜中10种酚酸类物质的含量,并测得其加标回收率为62.1%～93.8%,考虑到目标分析物的种类较多,且蜂蜜基质极为复杂,该结果基本满足要求。另外,还利用统计与品质因子验证了试验方法的可靠性,结果令人满意。该方法具有简单、快速等优点,可用于复杂基质中多种目标分析物的同时定量分析。     

食品中三聚氰胺的光谱检测与分析技术研究进展

三聚氰胺是豆、乳类制品中的非法食品添加剂,曾作为蛋白质的廉价代替物被非法添加进奶粉等食品中,造成了严重的社会危害,极大地威胁人民生命财产安全。目前光谱技术已成为识别和定量检测非法食品添加剂的有效手段,为质量监管部门提供了可靠的研究方法和鉴定依据。光谱检测技术的时效性、无损性和准确性提高了食品中三聚氰胺的检测效率,促进了精准化、自动化食品质量检测的发展。近年来有大量研究围绕着三聚氰胺的光谱检测新技术,如开发新型增强底物或传感器,降低三聚氰胺的检测限,提高检测精度;开发更加便携的自动化光谱快检设备,降低检测成本,提高检测效率。这些光谱技术各具优势,但很难形成标准化、统一化的检测规范,使得各种光谱检测技术仅仅停留在试验阶段,无法应用于实战。另一方面,随着人工智能与模式识别技术的发展,光谱数据分析方法在近年来也有着长足的进步,各种光谱预处理和数据建模方法被不断提出,大大提高了光谱检测技术的灵敏性和稳定性。综述了近十年光谱技术（拉曼光谱、近红外光谱、荧光光谱、光谱成像等）在三聚氰胺检测中的应用现状,总结了不同仪器检测限、定量范围和样品前处理方法;分析了各种光谱预处理和光谱数据建模方法在不同光谱数据中的适用性,归纳出这些方法的优劣与适配的仪器,并对其应用前景和研究趋势进行了展望。     

One Spot Microwave Synthesis and Characterization of Nitrogen-Doped Carbon Dots with High Oxygen Content for Fluorometric Determination of Banned Sudan II Dye in Spice Samples

Journal of Fluorescence - A simple microwave-assisted synthesis of nitrogen-doped carbon dots with high oxygen content (O-N-CDs) was carried out with citric acid as a carbon source and...     

湍流边界层激励下腔体内水动力自噪声预报与测量

循环水槽中试验测量了腔体内水动力自噪声,并与模态法建立的湍流脉动压力引起腔体自噪声预报进行比较验证。透声窗振动以简支边界为条件,腔体内部声波以刚性边界为条件模态展开,通过辐射边界条件建立模态耦合振动方程。在随机湍流脉动压力作用下,推导了模态振动方程在随机力激励下的自噪声功率谱响应。对循环水槽中5 m/s和8 m/s两种流速工况下的腔体水动力自噪声和湍流脉动压力进行了测试,结合测量的脉动压力预报方法可以计算腔体水动力自噪声量值,理论预报与试验测量结果大致吻合,趋势一致,为声呐罩材料选取及声学环境控制提供了一种分析方法。     

大挠度直梁二类混合变量变分原理及其应用

本文在功的互等定理的基础上,利用位移和应力作为变分变量的二类混合变量的最小势能原理和最小势作用量原理来求解大挠度直梁变形稳定问题,将所得结果与有限元模拟结果进行对比分析,验证了给出的方法的可行性和计算结果的准确性。给出的方法简单灵活,结果准确,为解决大挠度直梁问题提供了新的解决途径,不仅具有一定的理论意义,而且可以直接应用于实际工程中。     

基于Teager能量算子（TEO）基频的应力影响下的变异语音分类

变异语音识别是一项极具挑战意义的研究课题,一种解决方法是在前端对语音进行变异分类,然后根据不同变异情况采用相关的处理算法。在各种语音变异中,说话人在战斗机、航天飞机座舱等环境中,身体受到应力(重力)影响时的情况更具有特殊性。其所引起的发音变异有别于因心理的、感知的或生理的因素所引起的变异,目前国内外还鲜见有关应力影响不变异语音分类问题的专门研究。木文从对应力影响下的几种基于基频的语音特征的分析出发,提出了对应力影响下的变异语音和正常语音进行分类的方法。对航空模拟飞行器中采集的小词表实验样本,特定人平均分类正确率达到了93.3%,多说话人分类上确率达到了85.8%。