Abstract: A multiphasemass transfer model was set up to model the heterogeneous dynamic distribution of volatile organic compounds in air, water, sediments, etc. The model was employed to study the environmental accumulation of trifluoroacetic acid (TFA) in several districts of the Yangtze River in Jiangsu Province, as well as in the TaihuLake. An effective analytical procedure as well as a pretreatment technology was also set up to detect trace concentrations of TFA in the environment. About 300 data from above the study area were analyzed, and satisfactory coincidence between the results of experimental observations and theoretical simulations was found. Furthermore, the model was also capable of simulating the time evolution ofpollution accumulation if only the increasing quantity was given. Based on our simulations, the accumulation of TFA in the study area will rise up to 100 ng/L in ten years, comparable to the current levels of accumulation in some developedAmerican and European countries.