화학공학소재연구정보센터
Journal of Hazardous Materials, Vol.119, No.1-3, 63-68, 2005
Spectro-thermal decomposition study of 1,4-dinitroglycoluril (DINGU)
Simultaneous thermal analysis and high temperature FTIR study of 1,4-dinitroglycoluril (DINGU) is reported. TG showed 90% weight loss in the temperature range 225-250 degrees C. Isothermal TG of DINGU showed about 70% weight loss in the temperature range 210-230 degrees C. Kinetic parameters evaluated using a computer program showed that alpha-t data are best described by the Avrami-Erofeev's equation for n = 2 with an activation energy of 165 kJ/mol. The kinetics of decomposition of DINGU was followed by studying N-H (3388 cm(-1)), C=O (1770-1810 cm(-1)) and NO2 symmetric stretching (1565-1570 cm(-1)) IR bands. All three bands showed loss of intensity with temperature and time. alpha-t data of decomposition with respect to NO2 stretching was again best described by the Avrami-Erofeev's equation for n = 2. Gaseous decomposition products observed in the IR were N2O, NO2, CO2, HCN and NO. PM3 and Hartree-Fock level calculations on various bond lengths, bond angles and dihedral angles were computed to support the analysis of decomposition study using TG and IR. The data showed that C-N and N-H bonds are much shorter than the N-N bonds, indicative of the weaker N-N bond and hence, the possibilities of rupture of the same bond preferentially. This paper also discusses the sensitivity and performance properties of DINGU. (c) 2005 Elsevier B.V. All rights reserved.