Abstract: The NVT ensemble Monte Carlo method is used for the simulation of aqueous solutions of benzene in supercritical conditions for obtaining microscopic structures and the radial distribution functions(RDFs). The simple point charge(SPC) model and the LJ model with the optimized parameters by liquid simulations (OPLS) are adopted for the description of interactions between water and benzene molecules, respectively, in which the long range correction of Ewald is considered. RDFs for 10 cases are obtained to explain the behavior of benzene molecules changing from hydrophobic to hydrophilic,that takes place in the supercritical conditions. The effects of the variables, including temperature, concentration and density, on the microstructures of the aqueous sol-utionsare investigated. As a result, an appropriate condition for benzene molecules dissolving homogeneously in supercritical water is recommended.