The Resource Computational characterization of 2-azidocycloalkanamines: notional variations on the hypergol 2-azido-N,N-dimethylethanamine (DMAZ), Michael J. McQuaid, (electronic resource)

Computational characterization of 2-azidocycloalkanamines: notional variations on the hypergol 2-azido-N,N-dimethylethanamine (DMAZ), Michael J. McQuaid, (electronic resource)

Label
Computational characterization of 2-azidocycloalkanamines: notional variations on the hypergol 2-azido-N,N-dimethylethanamine (DMAZ)
Title
Computational characterization of 2-azidocycloalkanamines: notional variations on the hypergol 2-azido-N,N-dimethylethanamine (DMAZ)
Statement of responsibility
Michael J. McQuaid
Creator
Contributor
Subject
Language
eng
Summary
The fuel 2-azido-N,N-dimethylethanamine (DMAZ) has shown considerable promise as a replacement for hydrazine-based fuels in hypergolic propulsion systems, but the ignition delays observed for DMAZ-inhibited red finning nitric acid (IRFNA) systems are longer than those for monomethylhydrazine-IRFNA systems. This report considers the potential of 2-azidodocycloalkanamine-based fuels for addressing this issue. Such molecules have two stereochemically distinct isomers, one of which prevents the azide group from "shielding" the amine lone pair electrons from proton attack. The other promotes such shielding. Since shielding likely influences the manner in which nitric acid reacts with amine-azide fuels, the ignition delays for the isomers may be different, and it is possible that one of the isomers will yield shorter ignition delays than DMAZ. To support consideration of the synthesis and development of 2-azido-N,N-dimethylcyclopropanamine (ADMCPA) equilibrium structures are identified and their gas-phase heats of formations estimated via density functional theory-based calculations. In addition, ADMCPA isomer condensed-phase densities and heats of vaporization are estimated via molecular dynamics simulations performed with halogen analogs. Combined and employed to predict ballistic properties, the computational results indicate that the ADMCPA isomers merit further investigation as hypergols. A suggestion for synthesizing cis-ADMCPA is also proffered
Member of
Cataloging source
DTICE
Government publication
federal national government publication
Illustrations
illustrations
Index
no index present
Literary form
non fiction
Nature of contents
  • dictionaries
  • bibliography
Period covered
May 2001-May 2002.
Series statement
ARL-TR
Series volume
2806
Type of report
Final report.
Label
Computational characterization of 2-azidocycloalkanamines: notional variations on the hypergol 2-azido-N,N-dimethylethanamine (DMAZ), Michael J. McQuaid, (electronic resource)
Link
http://purl.fdlp.gov/GPO/gpo1301
Instantiates
Publication
Note
  • Title from PDF title screen (viewed on Nov. 23, 2010)
  • "September 2002."
  • --Original contains color plates: All DTIC reproductions will be in black and white
Bibliography note
Includes bibliographical references (p. 21-23)
Color
multicolored
Control code
228002284
Dimensions
unknown
Extent
1 online resource (x, 31, 2 p.)
Form of item
online
Other physical details
col. ill.
Specific material designation
remote
Label
Computational characterization of 2-azidocycloalkanamines: notional variations on the hypergol 2-azido-N,N-dimethylethanamine (DMAZ), Michael J. McQuaid, (electronic resource)
Link
http://purl.fdlp.gov/GPO/gpo1301
Publication
Note
  • Title from PDF title screen (viewed on Nov. 23, 2010)
  • "September 2002."
  • --Original contains color plates: All DTIC reproductions will be in black and white
Bibliography note
Includes bibliographical references (p. 21-23)
Color
multicolored
Control code
228002284
Dimensions
unknown
Extent
1 online resource (x, 31, 2 p.)
Form of item
online
Other physical details
col. ill.
Specific material designation
remote

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