Liu Yingrong, Xu Yupeng, Yang Haiying, Wang Zheng
Research Institute of Petroleum Processing, China Petroleum & Chemical Corporation, Beijing 100083, China.
Se Pu. 2004 Sep;22(5):482-5.
Chemometrics method was used to solve the problem of automatic selecting model for the detailed hydrocarbon analysis (DHA) of gasoline samples by gas chromatography/ flame ionization detection (GC/FID). The 29 peaks in GC/FID DHA chromatogram and their amounts were selected as the discriminating parameters to establish the five pattern models for different gasoline samples, such as fluid catalytic cracking (FCC) gasoline, coking gasoline, straight run gasoline, reformed gasoline, and alkylation gasoline. The principle component analysis (PCA) and Soft Independent Modeling of Class Analogies (SIMCA) were used to classify the gasoline samples and to identify the unknown samples according to the above pattern models. One hundred gasoline samples, derived from known resources, were employed to validate the reliability of the sample identity technique. With the help of the pattern identity method referred here, the automation of GC/FID DHA method becomes possible.
采用化学计量学方法解决了通过气相色谱/火焰离子化检测(GC/FID)对汽油样品进行详细烃类分析(DHA)时自动选择模型的问题。选择GC/FID DHA色谱图中的29个峰及其含量作为判别参数,为不同的汽油样品建立了五种模式模型,如流化催化裂化(FCC)汽油、焦化汽油、直馏汽油、重整汽油和烷基化汽油。主成分分析(PCA)和类模拟软独立建模(SIMCA)用于根据上述模式模型对汽油样品进行分类并识别未知样品。使用了100个来自已知来源的汽油样品来验证样品识别技术的可靠性。借助本文所述的模式识别方法,GC/FID DHA方法的自动化成为可能。