Study On The Scale-up Algorithm Of Thermal Decomposition Reaction Runaway Of Material

Reaction runaway is a typical cause of industry accident which often leads to severe consequence.Although the apparent reasons are varied and complicated,the kernel reason is the failure in heat management.From the view of heat balance calculation,heat accumulation equals the sum of heat generation and heat removal.These three items affected by thermodynamics,kinetics,mass transfer,heat transfer,etc.Therefore,the development of an algorithm in the prediction of decomposition reaction runaway and thermal risks assessment is meaningful.This thesis is developed by four steps.First of all,six typical self-decomposition substances such as di-tert-butyl peroxide(DTBP)are tested by differential scanning calorimeter(DSC)and accelerating calorimeter(MMC)to acquire basic decomposition figures and data.Secondly,the function modules of data importing,data cleansing,thermodynamics and kinetics calculation,the solve of ordinary differential equation(ODE)and partial differential equation(PDE)solving are constructed by MATLAB.Thirdly,based on the FTM algorithm,the decomposition behaviors of the three of the six self-decomposition substances mentioned above are calculated.In comparison with the experiment results of MMC and calculation results of commercial software AKTS,FTM shows 83%～90% conformity with MMC,and shows92%～97% conformity with AKTS,which means FTM owning an acceptable accuracy.Lastly,based on the one-dimensional FTM model,the decomposition behaviors of scale-up packages are predicted and the influence factors are researched.Results show that for the selfdecomposition substances,a high-temperature storage condition should be avoided and the scale of the packages should be reduced and also measures like adulteration should be took into consideration to decrease the heat conductivity.