烷醇醚有效碳数规律及其在气相色谱无标样检测中的应用

Regularity of effective carbon numbers of alkanes,alcohols and ethers and its application to determination without authentic standards by gas chromatography

为了实现气相色谱无标样定量分析,通过测定66种化合物的GC-FID相对响应因子,研究反推得到的有效碳数与物质结构间的规律,得到了烷、醇、醚类有效碳数的计算方案。使用该方案计算所得理论预测值与实验测定值的相关系数达到0.999 8(N=66),所有化合物预测值与实验值相对偏差都在±3%以内,其中57%的化合物预测值与实验值的相对偏差在±1%以内。将其应用于汽油样品中含氧化合物的测定,各组分的测定结果与使用传统内标法测得的结果相当。运用有效碳数法预测相对响应因子,可实现气相色谱无标样检测,其准确度不逊于传统内标法,而时间成本与经济成本大幅下降。

To realize quantitative analysis without authentic standards by gas chromatography, a calculation method of effective carbon numbers (ECNs) was developed by determining the relative response factors of 66 alkanes, alcohols, ethers with GC-FID and studying the relation between ECNs and chemical structures. The correlation coefficient of 0.999 8 (N = 66) was achieved between theoretical values and experimental values of ECNs. Fifty. seven percent of determined compounds had relative deviations within +/- 1% and all of them had relative deviations within +/- 3%. This method is as accurate as common internal-standard method while used in the determination of oxygenated chemicals in gasoline samples, but with far less time and economical cost. It could be used to solve the problem of lacking authentic standards or surrogates.