Design and thermodynamic analysis on one-step amination of benzene to aniline systems

Seven systems of one-step synthesis of aniline were designed, and it was determined which one could occur spontaneously through the calculation of Gibbs free energy of it. Among the seven systems, the Gibbs free energy of the one with ammonia as the aminating agent and hydrogen peroxide as the oxidant was the lowest, thus its process driving force was the largest, that is, 294kJ / mol. For this system just mentioned above, the standard Gibbs free energies, the equilibrium constant and the equilibrium conversions of benzene under different conditions were discussed,which was expected to provide a theoretical basis for further development and application of the system.