Thermal
decomposition of typical hazardous anthraquinone dye waste
was tested through differential scanning calorimetry, and the interaction
of the components was analyzed by the model-free method. The test
results show that melting makes the solid-phase decomposition of 1,5-dinitroanthraquinone
decrease as the activation energy is reduced by about 142.08 kJ/mol.
The activation energy of the third step of decomposition of the mixture
should be lowered. The spatial configuration of each substance was
described based on quantum mechanics tools. The calculation results
of the Laplace bond show that the middle ring bond is broken with
detachment of the nitro group. The polynitro substance needs to remove
the −CO group and form a stable phenylacetylene group that
can react with anthraquinone. The reactivity rating number under extreme
fire conditions was simulated by the kinetic equation. It shows that
the mixture without anthraquinone has a higher heat production rate
and overall heat effects under high temperatures. The melting effect
of anthraquinone will make the decomposition of the mixture become
more stable except under elevated temperatures and pressures.