Various analytical methods for describing the hydraulic behavior of a permeable reactive barrier (PRB) are developed based on a three-dimensional approximation of the groundwater flow system. To simulate the actual geological groundwater system, modeling was proposed in this study. Using MODFLOW module of the GMS software, the groundwater head and contaminants (BTEX; Benzene, Toluene, Ethyl benzene, and Xylene) concentration distribution model was developed. Based on these data and models, the optimal location of PRB installation was selected and the performance of PRB and the future response of Hydrogeological system were predicted by the model.