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遥感傅里叶变换红外光谱在有毒有机物分析中的应用
The Application of Remote Sensing FTIR in Toxic Organic Compounds Measurement
【作者】 黄中华;
【导师】 王俊德;
【作者基本信息】 南京理工大学 , 应用化学, 2003, 博士
【摘要】 本论文主要从以下几个方面进行了研究: 1、遥感傅里叶变换红外发射光谱技术在遥测热气体辐射源(如发电厂、各种飞行器和发动机羽尾排放)的红外辐射的物理和化学特性方面,已成为非常重要的手段之一。然而,当这些作为目标的红外辐射源的详情无法获取,或由军方保密时,如何恰当地应用辐射定律和某些容易得到的公开文献资料,作出精确地估算,则是红外领域的科学工作者和相关领域的军事家极为敏感和热衷的话题。而仪器响应函数或称仪器能量传递函数,是获得红外辐射的绝对光谱能量,如辐射源光谱辐射通量密度、辐射源光谱辐射强度、辐射源光谱辐射亮度、光谱辐射照度以及样品的辐射率和燃烧产物的浓度等一系列重要数据不可缺少的基本参数。因此,本研究利用不同温度的标准绝对黑体对EQUINOX55型遥感傅里叶变换红外光谱系统进行了光谱响应校正,考察了该系统的仪器响应函数随时间的变化规律。 研究表明,在温度低于1073K时,仪器响应函数跟温度有关,仪器响应函数随着温度的升高而增加,而在高温(>1073K)下,它们之间的变化趋小。以前用该黑体对170RS型遥感傅里叶变换光谱系统的校正结果是,在低温(<600K)下,仪器响应函数随温度的升高而降低。说明不同的遥感傅里叶变换光谱系统,其仪器相应函数受温度的影响规律不同,故在利用遥感傅里叶变换红外发射光谱测定红外源的光谱辐射绝对能量分布或气体组分时,应依据温度条件,进行校正。 为了方便计算遥感傅里叶变换红外光谱系统的仪器响应函数和红外辐射的绝对能量分布,本文还开发研制了FTIR校正系统软件,它不但计算速度快,准确性高,而且用户界面友好,曲线美观,是帮助红外领域的科学工作者和相关领域的军事家进行辐射能量计算和校正仪器的有力工具。 2、在涉及工业污染源排放的有害气体的扩散,城市污染的气体空间分布、扩散和变迁等问题,气体浓度的点样测定数据往往难以表述。为此,近年来发展起来了一项新技术一遥感傅里叶变换红外光谱层析技术,它采用遥感傅里叶变换红外光谱仪作为光谱遥感测量设备,利用层析技术重构待测参数(气体浓度)的空间分布轮廓图,该技术在大气污染的大范围的浓度分布监测、污染迁移的评估、预警报告和对应具体位置和防护线位置的大气污染空间的监测等方面,具有很大的应用潜能。 本研究对二维空间有毒有机气体浓度的重构技术是基于四种插值方法,它们博士论文遥感傅里叶变换红外光谱在有毒有机物分析中的应用分别是线性插值(简称‘hnear’)、最邻近插值(简称nearest’)、三次插值(简称‘cubic’)和Matlab4的插值方法(简称‘v4’),该方法所需数据比过去的ART法、SBFM法等要少得多,其中‘cubi。’法是基于三角对全光程积分浓度点样数据进行的三次插值,它比线性插值、最邻近插值、v4法的结果更精确,其重构结果与同时进行的点样法所得浓度比较,相对误差在5.31%范围内。更重要地是,本方法避免了纵横交错复杂的几何射线构造,毋需多个昂贵的角镜或平面镜,从而简化了运算,节约了测定成本,为实际应用提供了可参照的依据。 本文绘制的有毒有机物的浓度等值线图,从某种意义上,有助于人们获知受空气污染的危险工作环境的污染状况,较为直接地观察出二维空间的浓度峰所处的精确位置,即为污染最严重的地方,及早采取防范措施,避开那些污染超标的场所。 3、随着社会工业化的高度发展,人们对直接影响人类健康的大气质量也越来越重视,如何对大气中的有机毒物进行实时监测并作出预警己是各国环保专家研究的焦点之一。由于在实际监测中,存在诸多既明白又不完全清楚的因素,如气候条件、地理环境等复杂的因素,人们往往难以获得预警建模中所需的大量信息参数。鉴于以上原因,本研究认为,有机毒物污染的大气空间可以看着一个灰色系统,有机毒物气体在大气中的浓度作为一个灰色量,其短期数据的获得是采用遥感傅里叶变换红外光谱对模拟污染源所作的实时监测,并依据灰色系统理论,对监测数据建立了GM(1,l)模型,用来揭示易挥发有机毒物的浓度在大气中随时间变化的某种总趋势,并对未来时刻的有毒有机气体在大气中的浓度进行了预测。 本研究建立了两种有毒有机气体浓度随时间变化的预测模型,它们分别是正己烷和甲苯,对它们建立的预测模型,其平均相对误差精度达到二级,后验差比值精度达到一级,证实该灰色GM(1,l)预测模型具有足够高的精度,且用来预测未来短时段内大气中正己烷和甲苯气体的浓度结果非常理想。但是值得注意的是,依据灰色GM(1,l)建模理论建立的大气浓度时间预测模型,并非均能达到要求,检验合格的模型才能用来预测。通过以上研究证明,只要灰色GM(l,1)预测模型经过一系列严格的检验,可以用它来对遥感傅里叶变换红外光谱采集的实时数据进行未来短时段预测。 4、在现代家庭装修和日常生活中,由挥发性有机化合物(VOCs)造成的空气污染占有的比重逐年提高,由于大气VOCs污染具有多组分并存、干扰因素多等特点,给实际的监测工作造成一定困难,尤其是测定的谱图中各种有机组分的特征峰之间
【Abstract】 This paper was discussed in the following:(1) Remote Sensing FTIR Emission technical become one of the very important means in analysis physical characteristic and chemical characteristic of IR emission of hot gases emission source, such as emissions of power plant, aircraft and engine exhaust gas. However, how to strictly predict IR emission source detail which can not be obtained or keep secret by army using emission law or published literature, have become susceptive and zealous topic to scientists and militarists who engaged in the research related to the field of IR. In order to obtain the infrared spectral radiance distribution of the emission spectrum, such as spectral radiant flux density, spectral radiant intensity, spectral radiance, spectral irradiance and emission radio of sample and combustion product concentration, instrument response function of the system is the indispensable basic parameter. This paper calibrated EQUINOX55 Remote Sensing FTIR emission system using different temperature of standard blackbody. The effects of the temperature of the standard blackbody for calibration of EQUINOX55 Remote Sensing FTIR Emission System on the instrument response function had discussed.The result illustrated that the values of the instrument response functions increased as the blackbody temperature increased when temperature fell to lower than 1073K, and tended to a limit when the temperature increased to higher than 1073K. However, the effects of the temperature of this standard blackbody for calibration of 170RS FTIR emission system that the instrument response functions fell as the blackbody temperature increased when temperature fell to lower than 600K. It was obvious that effects of the temperature of this standard blackbody for calibration of different remote sensing FTIR Emission System was different. Therefore, remote sensing FTIR emission system should be calibrated when we measure the infrared spectral radiance distribution of the emission spectrum or sample concentration.For calculate the instrument response functions and the infrared spectral radiance distribution of the emission spectrum expediently, we developed the software for calibrating FTIR system. This software had many advantages: it was not only quick and accurate in calculating, but also User Interface was so friendly and graphics was so beautiful. It would become a very powerful tool for scientists and militarists who engaged in the research related to the field of IR to calculate the infrared spectralradiance distribution of the emission spectrum and calibrate FTIR system.(2) Point sample data about the concentrations of gases cannot express the pollution state in terms of diffusion of deleterious gases from industrial source, distribution and diffusion and transition of polluting gases in city. A new technique about measuring the spatial dependence of gaseous species concentration had also been in development recently. This technique employs a combination of OP-FTIR remote sensing and Computed Tomography (CT). CT is a means of inverting a set of path-integrated measurements gathered in a plane to find the underlying spatial distribution of the parameter of interest (such as a gas concentration). The technique is helpful for monitoring of the spatial distribution of gases, evaluation of pollution transition, prewarning for guard lead and so on.The reconstruction method in this paper based on four kinds of interpolation methods, which need only much less the number of ray than the beams applied in previous studies using the Algebraic Reconstruction Technique (ART) and the Smooth Basis Function Minimization (SBFM) algorithm. The triangle-based cubic interpolation of path-integrated concentration was more accurate than other method, such as linear interpolation, nearest neighbor interpolation and v4 griddata method. Quantitative agreement between reconstruction results using the ’cubic’ method and real measurements was generally good to within 5.3%. In addition, it avoids the complicated intersecting beam geometries a
【Key words】 Fourier Transform Infrared Spectroscopy, Remote Sensing, OP-FTIR,Instrument Response Function, Calibration, Computed Tomography; Grey System, GM Model, Air Pollution, Simultaneous Determination of Multicomponents, Artificial Neural Network Ensemble;