Building New Capabilities at NREL
A novel, optical-access flow reactor experimental setup has been designed, enabling spectroscopic and fluorescence data to be taken to measure key intermediates and stable radicals in situ. The ability to measure these intermediates will directly compliment the product analysis techniques currently used to understand autoignition chemistry, streamlining and expediting the formulation of informed key autoignition pathways. Having a firmer understanding of the key intermediates leading to autoignition in situ will directly contribute to computational chemistry efforts to more robustly and confidently –simulate these key autoignition pathways. Utilizing these pathways, quantitative structure property relationships may be constructed to link fuel structure to autoignition characteristics such as octane number. These relationships will enable a streamlined selection of fuels that enable higher efficiency engine applications in a more cost- and time-effective way.
