多元参数相关法预测气相色谱保留值

利用数理统计方法研究了诱导效应指数Ｉ，摩尔折射度ＲＤ，疏水亲脂参 数１ｇｐ以及分子联通性指数１ｘ与气相色谱保留行为的关系。探讨了它们对脂 肪醇、醛、酸、胺及脂肪酸酯色谱保留值的不同贡献。利用得到的相关方程，实 现了对色谱保留值的预测。结果表明，四元相关的预测精度明显高于二元和 二元。

Prediction of gas chromatographic retention values by multiparameter correlation

Based on statistics, the relationship between chromatographic retention behaviour and induced effect index I, molar refractivity RD, hydrophobic parameter lgp, as well as molecular connection 1 X are studied. Retention values for aliphatic alcohols, aldehydes, acids and esters are correlated with these parameters. By using the empirical formulas obtained from least square regression, retention data for the investigated solutes are predicted. it is found that four parameters correlation is more accurate than two or three parameters correlation.