PREDICTION OF AMMONIA DANGERS TAKING INTO ACCOUNT THE SUPRAMOLECULAR STRUCTUR

The work aim is to analyze the ammonia hazards, ways to eliminate them, and to develop methods for hazards parameters predicting by the supramolecular structures modeling in comparison with hydrocarbons. The work task is to summarize information about ammonia hazards, analyze their origin, and extend assessing methods of the hydrocarbons supramolecular structure to the ammonia description. Thework analyzes the formation of physicochemical hazard indicators of ammonia and its aqueous solutions. A supramolecular structure influence theoretical assessment on the hazards genesis was carried out. Attention is focused on the developments lack for the such implementation an approach for ammonia. A standard techniques review for eliminating the dangers of ammonia and its aqueous solutions during storage or use in technological processes, as well as in the emergency leakage case, was carried out. Using the hydrocarbons example, the stepwiseness and decrease of maximum permissible concentrations (MPC) in homologous series, which is preserved for the ammonia–hydrazine pair, is shown. The close nature of the change in MPC, solubility in water, and the n-alcohols content in the azeotropic mixture with water was observed. The melting temperature, stoichiometric conditions of combustion, flammability limits, solubility in water were described in cluster structure parameters with a good correlation. To predict the ammonia properties, various schemes of the supramolecular structure worked: for the melting state, different combustion conditions, solubility in а water. The melting temperature is described by the clustering coefficient K = 14; the combustion stoichiometric condition –as an ammonia tetramer with 3 peroxide bridges; lower FL –as ammonia hydroperoxide with β = 1; the upper FL –as an ammonia dimer with 1 peroxide bridge with β = 0.5, an aqueous solution according by a scheme close to stoichiometric combustion conditions, as a tetramer and 14 associated water molecules.Key words:ammonia, hydrocarbons, hazards parameters, maximum permissible concentration, supramolecular structure, cluster, length.