A new kind of ammonia solution evaporation inhibitor was prepared and tested. The effects of temperature on the volatilization characteristics of ammonia solution and the evaporation resistance of inhibitor were also investigated. The inhibitor prepared could rapidly and orderly be distributed on the liquid surface, its inhibition rate was up to 99% at 25-45 degrees C, and the mass transfer coefficient of ammonia solution was near zero. In order to explain the mechanism, molecular simulation, energy barrier theory, and thermodynamic analysis were employed, the results were entirely consistent with that of experiment.