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Titan大气中可能存在环氧乙烷的红外光谱的理论预测
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作者 董光兴 葛素红 贾秀梅 《河西学院学报》 2006年第5期28-31,共4页
在B3LYP/6-31G理论水平上对环氧乙烷、乙烯和乙醛分子进行了构型优化,计算了三个分子在Titan大气条件下的频率、绘制分子的红外振动光谱.对环氧乙烷分子的红外振动频率进行了理论归属,与Titan大气模拟实验的结论相比较,发现量子化学理... 在B3LYP/6-31G理论水平上对环氧乙烷、乙烯和乙醛分子进行了构型优化,计算了三个分子在Titan大气条件下的频率、绘制分子的红外振动光谱.对环氧乙烷分子的红外振动频率进行了理论归属,与Titan大气模拟实验的结论相比较,发现量子化学理论计算结果与模拟实验结果基本一致,而且,量子化学理论计算结果与环氧乙烷红外光谱的实验值也符合较好.并进一步分析比较了与环氧乙烷分子的红外谱线很相似的乙烯分子的谱带特征和频率归属以及环氧乙烷的异构体乙醛分子的谱带特征和频率归属.结果表明Titan大气中存在环氧乙烷分子的可能性是很大的. 展开更多
关键词 TITAN 环氧乙烷 红外光谱 大气模拟实验 理论预测 量子化学 土星 太阳系
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Airglow simulation based on the Atmospheric Ultraviolet Radiance Integrated Code of 2012 被引量:2
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作者 WANG HouMao WANG YongMei 《Science China Earth Sciences》 SCIE EI CAS CSCD 2016年第2期425-435,共11页
The Atmospheric Ultraviolet Radiance Integrated Code (AURIC) is a software package developed by Computa- tional Physics, Inc. (CPI) under the sponsorship of the Air Force Phillips Laboratory/Geophysics Directorate... The Atmospheric Ultraviolet Radiance Integrated Code (AURIC) is a software package developed by Computa- tional Physics, Inc. (CPI) under the sponsorship of the Air Force Phillips Laboratory/Geophysics Directorate (PL/GP) (cur- rently the Air Force Research Laboratory) for middle and upper atmospheric radiance modeling from the far ultraviolet to the near infrared. The AURIC has been considered as a general model for the radiative transfer simulation of airglow. Based on the theory of MODerate resolution atmospheric TRANsmission (MODTRAN), the AURIC extends calculation to altitudes above 100 km and the wavelength down to 80 nm. A package of AURIC vl.2 was released in 2002, which can be used for sin- gle-point simulation from 1947 to 1999. It means that the model is not suitable for atmospheric simulation of large datasets or for atmospheric parameters retrieval from amount of satellite measurements. In this paper, AURIC vl.2 is upgraded to AURIC-2012 based on MATLAB with improvements for modules of the Geomagnetic Parameter (GEOPARM), Atmosphere neutral composition (ATOMS), and Ionospheric electron density (IONOS). The improved AURIC can be used for global au- tomatic airglow simulation and also for automatic retrieval of atmospheric compositions from satellite global observations, such as O/N2 and electron density etc. Besides, the model supplies possibilities for further improvement of airglow radiative mechanism and for substitution of other modules. Based on the AURIC-2012, Limb Column Emission Intensity (L-CEI) and Volume Emission Rate (VER) are calculated. For validation, the results were compared with measurements of the Global Ul- traviolet Imager (GUVI) and TIMED Doppler Interferometer (TIDI), respectively. The averaged relative errors of L-CEI and VER at peak altitude are both within 20%. Finally, L-CEI varying with latitude, altitude, solar activity, and geomagnetic activ- ity is simulated, and the distribution characteristics of the simulation and their influencing factors are analyzed subsequently. 展开更多
关键词 AURIC-2012 Airglow simulation Limb Column Emission Intensity (L-CEI) Volume Emission Rate (VER)
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