Thermal decomposition mechanism of hydrazine dimer in gas phase and solution

Hydrazine's high hydrogen content makes it promising for hydrogen storage, but its explosive decomposition poses challenges. This study explores hydrazine's decomposition mechanisms in gas and solution phases using transition state theory, analyzing pathways for N₂, H₂, and NH₃ formation, including complexes N₃H₅ and N₃H₃ observed experimentally. Reaction rate constants were calculated for 200–1000 K, with kinetic curves comparing gas-phase and solution-phase decomposition. Results show that differing surface electrostatic potentials between phases alter surface polarity, leading to product selectivity variations during thermal decomposition. The findings provide insights for hydrazine's safer application in hydrogen storage and production.