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122.
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用第一性原理方法研究了H_2在(MgO)_9及(AlN)_(12)团簇上的吸附态、振动模式及熵.分析表明,吸附体系的振动中有六个简正模式可归为氢分子的振动;由于氢分子质量很小,零点能修正对吸附能有重要影响.利用振动配分函数计算了吸附氢分子的熵,表明吸附态H_2的熵主要决定于较低的同相振动的频率,并不完全与吸附强度相关;在标准大气压下70—350 K的温度范围内,吸附H_2的熵与气态H_2的熵之间存在很好的线性关系,吸附后H_2的熵减小约10.2R. 相似文献
124.
测量了四-(叔丁基)-四氮杂卟啉金属配合物(MT(tBu)TAP,M=Cu, Co, Ni, Zn)的拉曼和红外光谱. 在B3LYP理论水平上计算了其基态结构和振动光谱,基于计算结果对观察到的拉曼谱带进行了详细的指认. 考察了拉曼和红外谱带频率变化与四氮杂卟啉环结构的关系. 随着环内核尺寸的减小,CβCβ′伸缩振动(Ag)、CαNm反对称伸缩振动(Ag)、以及CαNm对称伸缩振动(Bg) 的频率线性地增加,其中后两者对环内核尺寸的变化更为敏感. 相似文献
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Manipulation of micro-objects have been playing an essential role in biochemical analysis or clinical diagnostics. Among the diverse technologies for micromanipulation, acoustic methods show the advantages of good biocompatibility, wide tunability, a label-free and contactless manner. Thus, acoustic micromanipulations have been widely exploited in micro-analysis systems. In this article, we reviewed the acoustic micromanipulation systems that were actuated by sub-MHz acoustic waves. In contrast to the high-frequency range, the acoustic microsystems operating at sub-MHz acoustic frequency are more accessible, whose acoustic sources are at low cost and even available from daily acoustic devices (e.g. buzzers, speakers, piezoelectric plates). The broad availability, with the addition of the advantages of acoustic micromanipulation, make sub-MHz microsystems promising for a variety of biomedical applications. Here, we review recent progresses in sub-MHz acoustic micromanipulation technologies, focusing on their applications in biomedical fields. These technologies are based on the basic acoustic phenomenon, such as cavitation, acoustic radiation force, and acoustic streaming. And categorized by their applications, we introduce these systems for mixing, pumping and droplet generation, separation and enrichment, patterning, rotation, propulsion and actuation. The diverse applications of these systems hold great promise for a wide range of enhancements in biomedicines and attract increasing interest for further investigation. 相似文献
128.
Ultrasonic-assisted metal droplet deposition (UAMDD) is currently considered a promising technology in droplet-based 3D printing due to its capability to change the wetting and spreading behaviors at the droplet-substrate interface. However, the involved contact dynamics during impacting droplet deposition, particularly the complex physical interaction and metallurgical reaction of induced wetting-spreading-solidification by the external energy, remain unclear to date, which hinders the quantitative prediction and regulation of the microstructures and bonding property of the UAMDD bumps. Here, the wettability of the impacting metal droplet ejected by a piezoelectric micro-jet device (PMJD) on non-wetting and wetting ultrasonic vibration substrates is studied, and the corresponding spreading diameter, contact angle, and bonding strength are also discussed. For the non-wetting substrate, the wettability of the droplet can be significantly increased due to the extrusion of the vibration substrate and the momentum transfer layer at the droplet-substrate interface. And the wettability of the droplet on a wetting substrate is increased at a lower vibration amplitude, which is driven by the momentum transfer layer and the capillary waves at the liquid–vapor interface. Moreover, the effects of the ultrasonic amplitude on the droplet spreading are studied under the resonant frequency of 18.2–18.4 kHz. Compared to deposit droplets on a static substrate, such UAMDD has 31% and 2.1% increments in the spreading diameters for the non-wetting and wetting systems, and the corresponding adhesion tangential forces are increased by 3.85 and 5.59 times. 相似文献
129.
基于电磁振动上料的茶梗和昆虫异物近红外光谱和荧光图像在线检测研究 总被引:1,自引:0,他引:1
茶叶是大众青睐的健康饮品之一,但茶叶在机器采收和加工过程中,容易混入茶梗和昆虫异物,污染茶叶、影响其质量安全,是未来应防范和检测的重点。X射线成像技术,根据食品基质和异物的密度差实施检测,广泛适用于金属异物并延伸至高密度塑料,但对于茶梗、昆虫这类低密度有机异物尚不适用,所以迫切需要研发新型无损检测技术和方法。针对片状茶叶重叠、遮掩异物的问题,提出了电磁振动上料辅助近红外光谱和荧光图像的检测方案,进行绿茶中的内源性异物茶梗和外源性异物昆虫的在线检测研究。通过电磁振动上料辅助近红外光谱和荧光成像系统,采集了600~1 050 nm范围的近红外光谱600条和RGB-N四通道图像各65幅。采用451条光谱进行建模,其余149条光谱作为预测集,评估模型的性能,比较了去趋势(Detrending)、多元散射校正(MSC)、标准正态变换(SNV)、变权重正态变换(VSN)、迭代自适应加权惩罚最小二乘法(airPLS)、不对称最小二乘法(ALS)、光程估计与校正(OPLEC)等不同光谱预处理方法的处理效果,其中OPLEC能较好地消除散射效应,偏最小二乘判别分析(PLS-DA)模型的正确识别率由78%提... 相似文献
130.
Shoichi Maeda Shunta Chikami Glenn Villena Latag Subin Song Norio Iwakiri Tomohiro Hayashi 《Molecules (Basel, Switzerland)》2022,27(7)
In this paper, we propose a new spectroscopic method to explore the behavior of molecules near polymeric molecular networks of water-containing soft materials such as hydrogels. We demonstrate the analysis of hydrogen bonding states of water in the vicinity of hydrogels (soft contact lenses). In this method, we apply force to hydrated contact lenses to deform them and to modulate the ratio between the signals from bulk and vicinal regions. We then collect spectra at different forces. Finally, we extracted the spectra of the vicinal region using the multivariate curve resolution-alternating least square (MCR-ALS) method. We report the hydration states depending on the chemical structures of hydrogels constituting the contact lenses. 相似文献