Location: Plant Polymer ResearchTitle: Physical properties of select explosive components for assessing their fate and transport in the environment
|COSTALES-NIEVES, CARMEN - Us Army Research|
|DAMAVARAPU, REDDY - Us Army Research|
|VISWANATH, DABIR - University Of Missouri|
|SHUKLA, MANOJ - Us Army Engineer Research And Dvelopment Center|
Submitted to: Book Chapter
Publication Type: Book / Chapter
Publication Acceptance Date: 3/20/2017
Publication Date: 12/1/2017
Citation: Boddu, V.M., Costales-Nieves, C., Damavarapu, R., Viswanath, D.S., Shukla, M.K. 2017. Physical properties of select explosive components for assessing their fate and transport in the environment. In: Shukla, M.K., Boddu, V.M., Steevens, J.A., Damavarapu, R., Leszczynski, J., editors. Energetic Materials: From Cradle to Grave. Cham, Switzerland: Springer. p. 343-371.
Interpretive Summary: This book chapter describes experimental measurements and model prediction of several high energy explosive materials. Physical properties such as melting point, boiling point, water solubility, and other partition coefficients provides for estimation of potential environmental contamination of the materials. The methodologies developed would be helpful for predicting environmental behavior of biomaterials derived from agricultural feed stocks.
Technical Abstract: Information on physical properties of munitions compounds is necessary for assessing their environmental distribution and transport, and predict potential hazards. This information is also needed for selection and design of successful physical, chemical or biological environmental remediation processes. This chapter summarizes physicochemical properties relevant to distribution of select explosive components in the three environmental matrices namely, soil, water and air. Physicochemical properties including meling point (MP), boiling point (BP), aqueous solubility (Sw), water-octanol paritition coefficient Koc), Henry's law constant (KH), vapor pressur (VP) and enthalpy of vaporization (deltaH) obtained from literature using model predictions and experimental studies are listed for a total of 16 energetic compounds. The explosive compounds included are dinitroanisole (DNAN), N-methul-p-nitroaniline (MNA), nitro-triazolone (NTO), triaminotrinitrobenzene (TATB), cyclotetramethylene-tetranitramine (HMX), cyclotrimethylene-trinitramine (RDX), trinitrotoluene (TNT), Chinalake-20 (CL-20), Diamino-Dinitroethylene (DADE), 1,3,3-Trinitroazetidine (TNAZ), Pentaerythritol tetranitrate (PETN), 2,4-Dinitrophenol (DNP), 1-Methyl-2,4,5-trinitroimidazole (MTNI), Triacetone Triperoxide (TATP), 2,4,6-trinitrophenyl-N-methylnitramine (TETRYL), and Bis(2,2,2-trinitroethyl)-3,6-diaminotetrazine (BTAT). The prediction models considered are limited to the EPI suite, SPARC and group contribution and COSMOthem. Results of model predictions are compared with available experimental data. This chapter is not an exhaustive review of all available literature data.