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


Full Text : https://apps.dtic.mil/dtic/tr/fulltext/u2/1047020.pdf


Report Date : 31 May 2017


Pagination or Media Count : 378


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