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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Effect of Boron Clusters on the Ignition Reaction of HNO3 and Dicynanamide-Based Ionic Liquids
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Effect of Boron Clusters on the Ignition Reaction of HNO3 and Dicynanamide-Based Ionic Liquids

机译：硼簇对HNO3和二纳米胺基离子液体点火反应的影响

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摘要

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.
机译：许多含有掺杂的硅藻的离子液体（DCA（ - ），式N（CN）（2）（2）（2）（2）（2）））在暴露于普通氧化剂硝酸时表现出高胆的点火。 然而，点火延迟通常比对于火箭应用的所需5ms长度约为10倍，从而需要改进。 过去十年的实验表明了早期反应步骤的机制以及癸镁烷的添加剂可以降低点火延迟。 使用精确的波函数方法，在此考虑用DCA（ - ）和质子化DCAH的硝酸反应的机制。 发现DCA（ - ）或DCAH与硼烷簇B10H14或B9H14-的络合通过改变一些中间鞍点的性质和反应屏障的小减少来稍微改变这些机制。

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