Processes during the Hypergolic Ignition between Monomethylhydrazine (MMH) and Dinitrogen Tetroxide (N2O4) in Rocket Engines

Two potential sources for engine complications with methylhydrazine/nitrogen tetroxide rocket engines were examined. The products formed during a cold pre‐reaction before the actual ignition of the rocket engine and their later behavior were investigated with Car‐Parrinello molecular dynamics simulations. It was found that methyldiazene is the main product of the cold pre‐reaction. As a side product, especially in the presence of an excess of methylhydrazine, dimethyltetrazanes are formed. These may be responsible for violent side reactions.