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THE INFLUENCE OF MORPHOLOGY ON THE VIBRATIONAL SPECTRA OF CRYSTALLINE AEROSOLS - SF6 AND CO2

机译:形态对晶体气溶胶SF6和CO2振动谱的影响

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摘要

Intense infrared absorptions of small particles suspended in a dissimilar medium show effects that allow one to deduce, at least in principle, the morphology of the particles. These effects have their origins in the discontinuity in optical constants at the surface of the particle, and may be described analytically when the particles are spherical or ellipsoidal. This paper addresses the problems that arise when the particles under consideration are crystalline and have sharp edges and corners. Analytical descriptions are not available for such cases and it is shown that a numerical implementation the current standard electrostatic approach does not converge for cubes. However, convergence can be obtained by chamfering the edges and corners of the simulated particle. Experimental spectra are reported for suspended microcrystallites of sulfur hexafluoride and of carbon dioxide. The spectra were simulated using a variety of morphologies and it is concluded that the sulphur hexafluoride particles were cubes while the carbon dioxide particles were cuboctahedra. [References: 30]
机译:悬浮在异种介质中的小颗粒的强烈红外吸收显示出一种效果,该效果至少可以从原理上推断出颗粒的形态。这些影响的起因是颗粒表面光学常数的不连续性,当颗粒为球形或椭圆形时,可以用解析的方式加以描述。本文解决了当所考虑的颗粒为结晶并具有尖锐的边缘和角落时出现的问题。对于此类情况无法提供分析说明,并且显示了当前标准静电方法的数值实现方式无法收敛于立方体。但是,可以通过对模拟粒子的边缘和角进行倒角来获得收敛。报告了六氟化硫和二氧化碳的悬浮微晶的实验光谱。使用多种形态对光谱进行了模拟,得出的结论是六氟化硫颗粒为立方体,而二氧化碳颗粒为立方八面体。 [参考:30]

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