화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.121, No.41, 8003-8011, 2017
Effect of Boron Clusters on the Ignition Reaction of HNO3 and Dicynanamide-Based Ionic Liquids
Many ionic liquids containing the dicynamide anion (DCA(-), formula N(CN)(2)(-)) exhibit hypergolic ignition when exposed to the common oxidizer nitric acid. However, the ignition delay is often about 10 times longer than the desired 5 ms for rocket applications, so that improvements are desired. Experiments in the past decade have suggested both a mechanism for the early reaction steps and also that additives such as decaborane can reduce the ignition delay. The mechanisms for reactions of nitric acid with both DCA(-) and protonated DCAH are considered here, using accurate wave function methods. Complexation of DCA(-) or DCAH with borane clusters B10H14 or B9H14- is found to modify these mechanisms slightly by changing the nature of some of the intermediate saddle points and by small reductions in the reaction barriers.