New Micro-Method for Prediction of Vapor Pressure of Energetic Materials

Abstract

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Density Functional Theory and Experimental Studies of the Molecular, Vibrational, and Crystal Structure of Bis-Oxadiazole-Bis-Methylene Dinitrate (BODN)

“…The vapor pressure of samples was obtained by thermogravimetric analysis (TA Q500 TGA) at selected temperatures using the method of Pesce-Rodriguez and Klier. 47 As a reference and crosscheck, this procedure yielded an estimated value of ΔH sub = 130.3 kJ/mol for RDX, in excellent agreement with the value of 130.1 kJ/mol reported by Rosen and Dickinson 48 and in good agreement with the 127.1 kJ/mol value suggested by O ̈stmarek et al from their critical review on vapor pressure of explosives. 49 ■ MODELING DETAILS Single Molecule Modeling (M-DFT).…”

“…The experimental heats of sublimation of BODN and BIDN were derived from the slopes [ R 2 = 0.9959 (BODN) and 0.9963 (BIDN)] of Clausius–Clapeyron plots, ln­( P ) vs T , where P and T represent the pressure and temperature, respectively. The vapor pressure of samples was obtained by thermogravimetric analysis (TA Q500 TGA) at selected temperatures using the method of Pesce-Rodriguez and Klier . As a reference and crosscheck, this procedure yielded an estimated value of Δ H sub = 130.3 kJ/mol for RDX, in excellent agreement with the value of 130.1 kJ/mol reported by Rosen and Dickinson and in good agreement with the 127.1 kJ/mol value suggested by Östmarek et al from their critical review on vapor pressure of explosives …”

Laboratory‐scale Investigation of the Influence of Ageing on the Performance and Sensitivity of an Explosive Containing ϵ‐CL‐20

“…Boddu [27] predicted vapor pressure for CL-20 at 100 8C to be 5 orders of magnitude higher than at 25 8C (log VP = À14.1 torr at 25 8C and À9.15 at 100 8C). Pesce-Rodriguez and Klier [28] predicted similar values (À12.5 torr and À7.2 torr, respectively, at 25 and 100 8C). While sublimation of CL-20 from a pressed charge would be expected to be small, nonnegligible loss from a loose molding powder would be expected -resulting in a higher relative amount of binder to 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 CL-20.…”