Accession Number : ADA420016


Title :   Computationally Based Measures of Amine Azide Basicity and Their Correlation With Hypergolic Ignition Delays


Descriptive Note : Final rept. Jan 2002-Mar 2003


Corporate Author : ARMY RESEARCH LAB ABERDEEN PROVING GROUND MD


Personal Author(s) : McQuaid, Michael J


Full Text : http://www.dtic.mil/dtic/tr/fulltext/u2/a420016.pdf


Report Date : Dec 2003


Pagination or Media Count : 32


Abstract : To explore a hypothesis that hypergolic ignition delays for fuel-nitric acid combinations are a function of the fuel's basicity, measures of base strength are computed for various azides, amines, amine azides, and hydrazines and compared to ignition delay data. Measures of base strength considered include gas-phase proton affinities, heats of neutralization for reactions leading to ion pairs, and heats of reaction for fuel-nitric acid complexation. The measures quantify substituent-mediated basicity differences between sites with lone pair electrons, but they do not appear to be good predictors of ignition delay. The failure of the hypothesis is discussed.


Descriptors :   *IGNITION LAG , *HYPERGOLIC IGNITION , HYDRAZINES , NEUTRALIZATION , AMINES , AZIDES , COMPUTATIONAL CHEMISTRY


Subject Categories : Combustion and Ignition


Distribution Statement : APPROVED FOR PUBLIC RELEASE