To evaluate thermal hazards of benzaldehyde oxime (BO), dynamic experiments were carried out by differential scanning calorimeter (DSC) to obtain thermodynamic parameters. A kinetic model was evaluated by fitting experimental curves. Finally, thermal behaviors under isothermal, adiabatic and conditions of limited intensity of heat exchange were simulated. The results indicate that BO decomposes rapidly in liquid phase, and releases a large amount of thermal energy. The reaction model of full autocatalysis has been created comprising two parallel stages: initiation stage of the n-order type, and the autocatalytic stage. Contribution of the two stages are also presented. Simulation results demonstrate low stability of BO in liquid phase, it decomposes at low temperature right above melting and results in thermal explosion even for a small container. Estimation of time to maximum rate (TMRad) demonstrates the operational temperature should not be higher than 42 deg C during production and usage.
Compounds
#
Formula
Name
1
C7H7NO
benzaldehyde oxime
Datasets
The table above is generated from the ThermoML associated json file (link above).
POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied;
the numbers refer to the table of compounds on the left.
Type
Compound-#
Property
Variable
Constraint
Phase
Method
#Points
POMD
1
Normal melting temperature, K ; Crystal
Crystal
Liquid
Air at 1 atmosphere
DTA
1
POMD
1
Molar enthalpy of transition or fusion, kJ/mol ; Crystal