Quantum Chemical Insights into the Initial Reaction Pathways Governing the Self-Ignition of Hypergolic Ionic Liquids with H2O2
Miori Nogamida, Hirotoshi Mori · 2026
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Description
Miori Nogamida and Hirotoshi Mori trace the first reaction steps when ionic liquid fuels meet hydrogen peroxide in a 2026 study. Such fuels ignite on contact yet stay safer to store than hydrazine, a classic but toxic propellant.
Automated path searches and orbital analysis covered four candidate anions. The borohydride anion showed the lowest ignition barrier, at 20.6 kcal per mol, and the largest heat release, at minus 105.4 kcal per mol. Adding cyano groups steadily dulled reactivity, and two anions failed to ignite at all. Ignition hinged on how well the anion donates electrons into the peroxide bond. The rule gives designers a molecular compass for greener rocket fuels.
Catalog record
| CREATOR | Miori Nogamida, Hirotoshi Mori |
|---|---|
| YEAR | 2026 |
| COLLECTION | PAPERS |
| FORMAT | TXT |
| FILE SIZE | 17098 |
| LICENSE | https://creativecommons.org/licenses/by/4.0 |
| RIGHTS | CC BY |
| SOURCE | Europe PMC |