The Changes Of Cluster Structures Of Four Liquid Dangerous Chemicals During The Volatilization Process Of Them

Liquid dangerous chemicals was a class of liquid that with nature such as volatile vapors of toxic or corrosive or irritant. The leakage of liquid dangerous chemicals in the process of production,transportation,use,storage was gradially increasing. Large amounts of toxic gases were produced in the process of leskage. The key technical problem to be solved is how to control the generation and transmission of toxic gases effective in the first time. However, the mechanism of generation and transmission of the volatilization of liquid dangerous chemicals there was rarely reported at home and abroad.In this paper, the volatilization of four liquid dangerous chemicals such as hydrochloric acid was researched at different temperatures. The mass transfer coefficient and the mass transfer rate of liquid dangerous chemicals was calculated.The changes of the cluster structures of liquid dangerous chemicals were calculated by Gausssian03. The mechanism of generation and transmission of the volatilization of liquid dangerous chemicals was researched from energy barrier angle.The ammonia,hydrochloric acid,formaldehyde,nitrate were researched.Temperature was the main influencing factors of the volatilization of liquid dangerous chemicals.The experiment were conducted 400mins in temperature of 20? to 45?. The volatilization of liquid dangerous chemicals were studied by measured the concentration, calculated the mass transfer coefficient and the mass transfer rate. The results showed that the volatilization of liquid dangerous chemicals was strengthened as the increases of temperature. But the evaporation rate has significant regional in temperature. The volatilization of ammonia was the most obvious, the nitric acid was hardest. The mass transfer coefficient of ammonia, hydrochloric acid, formaldehyde, nitrate was 1.97 X 10-4m/min,0.934×10-5 m/min,0.880×10-5 m/min,0.803×10-6m/min at 35?.The energy required in the process of the change of cluster structures was calculated. Results showed that: the energy needed in the volatilization of ammonia was 11.09kJ/mol, 13.76kJ/mol and 18.67kJ/mol. The volatilization of ammonia was gradually slow down. The energy needed in the volatilization of hydrochloric acid was 21.81kJ/mol,51.39kJ/mol and 18.42kJ/mol. The volatilization of hydrochloric acid was gradually slow down and then gets faster. The energy needed in the volatilization of formaldehyde was 22.55kJ/mol and 18.98kJ/mol. The volatilization of formaldehyde was become faster. The energy needed in the volatilization of nitrate was 63.17kJ/mol and 107.97kJ/mol. The volatilization of nitrate was gradually slow down...