中红外光谱法快速测定车内空气中多组分有机污染物

随着汽车进入家庭,车内空气质量越来越受到人们的重视,亟需建立一种车内空气中有机污染物的快速测定方法以满足日常监测需要。将中红外光谱技术与化学计量学方法相结合,建立了一种快速测定车内空气中苯系物的方法。以偏最小二乘法(PLS)建立分析预测模型,并对光谱预处理方法、主因子数进行了优化。最佳校正模型对苯、甲苯、二甲苯浓度的校正均方差、预测均方差和交叉验证均方差分别为0.0089、0.0200和0.1115,0.0116、0.0011 和0.1398以及0.0137、0.0037和0.1390。研究表明,该方法具有较高的准确度和较好的适用性,用于测定车内空气中苯系物的浓度是可行的,并能大大提高车内空气质量监测的效率。

Rapid Determination of BTEX in Vehicles by Mid-Infrared

The quality of in-vehicle air and its impact on the human health are gaining more and more concern recently. It is necessary to establish a rapid determination method for BTEX in vehicles to match the demand of routine monitor. In this paper, a rapid analytical method for BTEX in vehicles was developed by mid-infrared spectroscopy (MIR) technique combined with chemometric method. The spectral pre-processing and the number of PLS factors were optimized to achieve the best prediction of the BTEX concentration. The root mean square error of calibration (RMSEC), root mean square error of prediction (RMSEP) and root mean square error of cross validation (RMSECV) of the optimal model were 0.0089, 0.0200 and 0.1115 for benzene; 0.0116, 0.0011 and 0.1398 for toluene; 0.0137, 0.0037 and 0.1390 for xylene, respectively. The MIR method will significantly improve the efficiency of the routine monitor of the air quality in vehicles.