Accession Number:

AD1047020

Title:

Developing Quantum Chemical and Polyparameter Models for Predicting Environmentally Significant Parameters for New Munition Compounds

Descriptive Note:

Technical Report,19 Aug 2010,18 Aug 2013

Corporate Author:

University of Delaware Newark Newark United States

Personal Author(s):

• Di Toro,Dominic M
• Allen,Herbert E
• Sandler,Stanley I
• Fu Kuo,Dave T
• Torralba-Sanchez,Tifany L
• Liang,Yuzhen
• Checkai,Ronald T
• Kuperman,Roman G
• Simini,Michael
• Sunahara,Geoffrey I
• Hawari,Jalal
• Dodard,Sabine G
• Allen,Herbert E
• Sandler,Stanley I
• Fu Kuo,Dave T
• Torralba-Sanchez,Tifany L
• Liang,Yuzhen
• Checkai,Ronald T
• Kuperman,Roman G
• Simini,Michael
• Sunahara,Geoffrey I
• Hawari,Jalal
• Dodard,Sabine G

Report Date:

2017-05-31

Pagination or Media Count:

378.0

Abstract:

The project objectives as stated in the statement of need SON are to 1 Improve methods for the prediction of physical properties relevant for assessing environmental fate and transport, and 2 Develop predictive models to assess the bioaccumulation of the chemical in relevant environmental receptors plants, and soil invertebrates. The models will be used to assess the environmental impact of new munitions compounds. Models that fulfill these objectives have been developed in this project as described below.

Descriptors:

• Quantum Mechanics
• QUANTUM CHEMISTRY
• environmental impact
• munitions

Subject Categories:

• Physical Chemistry
• Ammunition and Explosives

Distribution Statement:

APPROVED FOR PUBLIC RELEASE