We have previously developed a PBX 9501 cookoff model for the plastic bonded explosive PBX 9501 consisting of 95 wt% octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazoncine (HMX), 2.5 wt% Estane® 5703 (a polyurethane thermoplastic), and 2.5 wt% of a nitroplasticizer (NP): BDNPA/F, a 50/50 wt% eutectic mixture bis(2,2-dinitropropyl)-acetal (BDNPA) and bis(2,2-dinitropropyl)-formal (BDNPF). This fivestep model includes desorption of water, decomposition of the NP to form NO2, reaction of the NO2 with Estane and HMX, and decomposition of HMX [1]. This model has been successfully validated with data from six laboratories with scales ranging from 2 g to more than 2.5 kg of explosive. We have determined, that the PBX 9501 model can be used to predict cookoff of other plastic bonded explosives containing HMX and an inert binder, such as LX-04 consisting of 85 wt% HMX and 15 wt% Viton A (vinylidine fluoride/hexafluoropropylene copolymer), LX-07 (90 wt% HMX and 10 wt% Viton A), LX- 10-0 (95 wt% HMX and 5 wt% Viton A), and LX-14 consisting of 95.5 wt % HMX and 4.5 wt% Estane® 5702-F1 (a polyurethane thermoplastic). Normally our cookoff models are verified using Sandia’s Instrumented Thermal Initiation (SITI) experiment. However, SITI data for LX-04, LX-07, LX-10-0, and LX-14 are not available at pressed density; although, some molding powder SITI data on LX-10-0 and LX-14 exists. Tarver and Tran [2] provide some one-dimensional time-to-explosion (ODTX) data for these explosives. The applicability of the PBX 9501 model to LX-04, LX-07, LX-10-0, AND LX-14 was made using this ODTX data [2]. The PBX 9501 model is applied to these other explosives by accounting for the correct amount of HMX in the explosive and limiting the NP reaction. We have found the PBX 9501 model to be useful for predicting the response of these PBXs to abnormal thermal environments such as fire.
We previously developed a PETN thermal decomposition model that accurately predicts thermal ignition and detonator failure [1]. This model was originally developed for CALORE [2] and required several complex user subroutines. Recently, a simplified version of the PETN decomposition model was implemented into ARIA [3] using a general chemistry framework without need for user subroutines. Detonator failure was also predicted with this new model using ENCORE. The model was simplified by 1) basing the model on moles rather than mass, 2) simplifying the thermal conductivity model, and 3) implementing ARIA’s new phase change model. This memo briefly describes the model, implementation, and validation.
We have used a modified version of the Sandia Instrumented Thermal Ignition (SITI) experiment to develop a pressure-dependent, five-step ignition model for a plastic bonded explosive (PBX 9501) consisting of 95 wt% octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazoncine (HMX), 2.5 wt% Estane® 5703 (a polyurethane thermoplastic), and 2.5 wt% of a nitroplasticizer (NP): BDNPA/F, a 50/50 wt% eutectic mixture bis(2,2-dinitropropyl)-acetal (BDNPA) and bis(2,2-dinitropropyl)-formal (BDNPF). The five steps include desorption of water, decomposition of the NP to form NO2, reaction of the NO2 with Estane® and HMX, and decomposition of HMX. The model was fit using our experiments and successfully validated with experiments from five other laboratories with scales ranging from about 2 g to more than 2.5 kg of PBX. Our experimental variables included density, confinement, free gas volume, and temperature. We measured internal temperatures, confinement pressure, and ignition time. In some of our experiments, we used a borescope to visually observe the decomposing PBX. Our observations included the endothermic β–δ phase change of the HMX, a small exothermic temperature excursion in low-density unconfined experiments, and runaway ignition. We hypothesize that the temperature excursion in these low density experiments was associated with the NP decomposing exothermically within the PBX sample. This reactant-limited temperature excursion was not observed with our thermocouples in the high-density experiments. For these experiments, we believe the binder diffused to the edges of our high density samples and decomposed next to the highly conductive wall as confirmed by our borescope images.
Occasionally, our well-controlled cookoff experiments with Comp-B give anomalous results when venting conditions are changed. For example, a vented experiment may take longer to ignite than a sealed experiment. In the current work, we show the effect of venting on thermal ignition of Comp-B. We use Sandia's Instrumented Thermal Ignition (SITI) experiment with various headspace volumes in both vented and sealed geometries to study ignition of Comp-B. In some of these experiments, we have used a boroscope to observe Comp-B as it melts and reacts. We propose that the mechanism for ignition involves TNT melting, dissolution of RDX, and complex bubbly liquid flow. High pressure inhibits bubble formation and flow is significantly reduced. At low pressure, a vigorous dispersed bubble flow was observed.
Blast waves from an explosion in air can cause significant structural damage. As an example, cylindrically-shaped charges have been used for over a century as dynamite sticks for mining, excavation, and demolition. Near the charge, the effects of geometry, standoff from the ground, the proximity to other objects, confinement (tamping), and location of the detonator can significantly affect blast wave characteristics. Furthermore, nonuniformity in the surface characteristics and the density of the charge can affect fireball and shockwave structure. Currently, the best method for predicting the shock structure near a charge and the dynamic loading on nearby structures is to use a multidimensional, multimaterial shock physics code. However, no single numerical technique currently exists for predicting secondary combustion, especially when particulates from the charge are propelled through the fireball and ahead of the leading shock lens. Furthermore, the air within the thin shocked layer can dissociate and ionize. Hence, an appropriate equation of state for air is needed in these extreme environments. As a step towards predicting this complex phenomenon, a technique was developed to provide the equilibrium species composition at every computational cell in an air blast simulation as an initial condition for hand-off to other analysis codes for combustion fluid dynamics or radiation transport. Here, a bare cylindrical charge of TNT detonated in air is simulated using CTH, an Eulerian, finite volume, shock propagation code developed and maintained at Sandia National Laboratories. The shock front propagation is computed at early times, including the detonation wave structure in the explosive and the subsequent air shock up to 100 microseconds, where ambient air entrainment is not significant. At each computational cell, which could have TNT detonation products, air, or both TNT and air, the equilibrium species concentration at the density-energy state is computed using the JCZS2i database in the thermochemical code TIGER. This extensive database of 1267 gas (including 189 ionized species) and 490 condensed species can predict thermodynamic states up to 20,000 K. The results of these calculations provide the detailed three-dimensional structure of a thin shock front, and spatial species concentrations including free radicals and ions. Furthermore, air shock predictions are compared with experimental pressure gage data from a right circular cylinder of pressed TNT, detonated at one end. These complimentary predictions show excellent agreement with the data for the primary wave structure.
This report presents plots of specific heat, enthalpy, entropy, and Gibbs free energy for 1439 species in the JCZS2i database. Included in this set of species are 496 condensed-phase species and 943 gas-phase species. The gas phase species contain 80 anions and 112 cations for a total of 192 ions. The JCZS2i database is used in conjunction with the TIGER thermochemical code to predict thermodynamic states from ambient conditions to high temperatures and pressures. Predictions from the TIGER code using the JCZS2i database can be used in shock physics codes where temperatures may be as high as 20,000 K and ions may be present. Such high temperatures were not considered in the original JCZS database, and extrapolations made for these temperatures were unrealistic. For example, specific heat would sometimes go negative at high temperatures which fails the definition of specific heat. The JCZS2i database is a new version of the JCZS database that is being created to address these inaccuracies. The purpose of the current report is to visualize the high temperature extrapolations to insure that the specific heat, enthalpy, entropy, and Gibbs free energy predictions are reasonable up to 20,000 K.