Abstract: In order to investigate the mechanism and model of phenol of coal chemical wastewater,the authors selected TOA-kerosene as extraction agent for the complexation extraction experiment of phenol to investigate the effects of complex agent concentration and reaction temperature on the extraction equilibrium partition coefficient, study the mechanism of complex extraction process and establish a mathematical model of phenol extraction based on the FT-IR analysis and liquid-liquid extraction models. The results show that the high concentration of complex agent and lower reaction temperature can increase the extraction equilibrium partition coefficient;the phenol extraction of TOA belongs hydrogen bonding and ion association and the complex ratio is 1 ∶ 1;the phenol extraction process is an exothermic re- action;the relative error of TOA complex extraction model is 4. 46% in different concentrations of TOA,and is 1. 97%in the different temperatures,so it has a higher reliability of prediction experiment distribution coefficient of phenol.