Correlation Analysis on Active Parameters and Retention Index of Polycyclic Aromatic Hydrocarbons
多环芳烃活性参数与色谱保留指数相关性分析

To simplify the determination and prediction of Koc, Kow and BCF of polycyclic aromatic hydrocarbons (PAHs), the correlations of activity parameters with retention index (I) and benzene ring number (N) were analyzed in this paper. Unary linear regression equations including I (or N) with lgKoc, lgKow, lgBCF, and binary linear regression equations of I and N with lgKoc, lgKow, lgBCF were established, respectively. Results showed that a clear linear relationship was observed between I (or N) and lgKoc, lgKow, lgBCF. The established equations could accurately predict the three active parameters, and the linear regression equation of I showed a higher predicting ability. The correlation coefficients of binary linear regression equation of I and N with lgKoc, lgKow, lgBCF were analyzed with t-test, which revealed that the partial regression coefficient of variable N had no statistic significance. It was demonstrated that lgKoc, lgKow and lgBCF of PAHs could be well predicted based on the linear prediction model of I, providing a simple method for predicting the activity parameters of PAHs compounds.