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FT-IR IN THE QUANTITATIVE ANALYSIS OF GASEOUS HYDROCARBON MIXTURES

机译:气相色谱-红外光谱法定量分析气态烃混合物

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FT-IR spectrometer provided with software for multicomponent analysis of IR spectra was used for simultaneous determination of up to 12 hydrocarbons in a gaseous mixture. The hydrocarbons, ranging from methane to n-butane, were selected to simulate reaction product mixtures obtained in the dehydrogenation of n-butane, The concentrations of the hydrocarbons in the sample were determined by fitting to the sample spectrum a set of pure calibration spectra of the gases present in the sample, In principle, the entire wavenumber range of the low-resolution IR spectrum could be utilized in the fit, The reliability of the results was checked from the residual spectrum, obtained by subtracting the fitted from the measured spectrum, The residual spectrum will be pure noise when the set of calibration spectra chosen for the analysis fits exactly with the sample spectrum, Precision of the results, expressed as average relative standard deviation, was +/-4%. Concentrations of most of the hydrocarbons were determined with an error less than +/-10%, The concentrations of isobutane, trans-2-butene, propane, and ethane deviated by more than 10% from the reference concentrations, The sum concentration of ethane and propane, however, deviated less than +/-1% from the reference, Difficulties in determining ethane and propane accurately were due to the broad nature and small number of peaks in their IR spectra, IR spectrometry with multicomponent analysis of spectra provides a rapid and powerful method with potential for the study of catalytic reactions at a time resolution of seconds.
机译:使用带有软件的FT-IR光谱仪对红外光谱进行多组分分析,可同时测定气态混合物中多达12种烃。选择从甲烷到正丁烷的烃,以模拟在正丁烷脱氢中获得的反应产物混合物。通过将样品光谱拟合一组纯净的校准光谱,确定样品中烃的浓度。原则上,可以将低分辨率红外光谱的整个波数范围用于拟合,从残差光谱中检查结果的可靠性,该残差光谱是通过从测量光谱中减去拟合度而获得的,当为分析选择的一组校准光谱与样品光谱完全吻合时,残留光谱将为纯噪声。结果的精度(以平均相对标准偏差表示)为+/- 4%。确定大多数烃的浓度,误差小于+/- 10%,异丁烷,反-2-丁烯,丙烷和乙烷的浓度与参考浓度的偏差超过10%,乙烷的总浓度丙烷与参考样品的偏差小于+/- 1%,难以准确测定乙烷和丙烷是由于其红外光谱的性质广泛且峰数较少,因此采用红外光谱结合光谱的多组分分析提供了快速的方法强大的方法,有可能在几秒钟的时间分辨率内研究催化反应。

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