付里叶变换红外光谱法测定煤衍生液体的芳碳率

DETERMINATION OF CARBON AROMATICITY OF COAL DERIVED LIQUIDS BY FOURIER TRANSFORM IR SPECTROSCOPY

芳碳率f_a(芳香碳占总碳的分数)是表征煤和煤衍生液体(以下简称煤液体)的重要参数。早在六十年代,Brown和Ladner就提出了从~1HNMR和元素分析数据计算f_(?)值的著名公式。它的最简单形式如下:

THe carbon aromaticity fa of coal liquids can be calculated routinely with presented formulas based only upon IR measurements and elemental analysis provided calibration was previously made by proton NMR data. The two parameters, K and X, involved in these formulas ware evaluated epxerimentally. Using integral area in place of peak height for IR absorbance measurement results in better quantification even if the position of IR absorption bands from different samples does not keep consistency or some distortion of band shape exists. The experimental results indicate that the aromaticity values obtained from the IR method were in good agreement with those obtained from ~1H and ^(13)C NMR methods. This is a rapid, simple, reliable method for determination of the carbon aromaticity of coal liquids.