A Study of Estimating the Safe Storage Life, Self-accelerating Decomposition Temperature and Critical Temperature of Thermal Explosion of Double-base Propellant Using Isothermal and Non-isothermal Decomposition Behaviours

A method of estimating the safe storage life （τ）, self-accelerating decomposition temperature （TsADT） and critical temperature of thermal explosion （Tb） of double-base propellant using isothermal and non-isothermal decomposition behaviours is presented. For double-base propellant composed of 56±1wt% of nitrocellulose （NC）, 27±0.5wt% of nitroglycerine （NG）, 8.15±0.15wt% of dinitrotoluene （DNT）, 2.5±0.1wt% of methyl centralite, 5.0±0.15wt% of catalyst and 1.0±0.1wt% of other, the values of r of 49.4 years at 40℃, of TSAOT of 151.35℃ and of Tb of 163.01℃ were obtained.

Estimation of Critical Rate of Temperature Rise for Thermal Explosion of First Order Autocatalytic Decomposition Reaction Systems by Using Non-isothermal DSC

A method of estimating the critical rate of temperature rise for the thermal explosion of first order autocatalytic decomposition reaction systems by using non-isothermal DSC is presented. The information was obtained on the increasing rate of temperature for the first order autocatalytic decomposition of nitrocellulose containing 13.86% nitrogen converting into the thermal explosion.

Evaluation of the Ignition Temperature in Thermal Explosion Synthesis of TiAl_3 by Differential Scanning Calorimetry

Application of the Semenov theory of spontaneous ignition to evaluation of the critical temperature (Tc) in thermal explosion (TE) synthesis was conducted with the Ti-75at pct Al binary system using nonisothermal differential scanning calorimetry (DSC) at different heating rates. And the critical temperature for isothermal TE is predicted to be 728.9癈 by the multiple linear regression of Tcs evaluated according to Semenov theory, which is close to the range of 740~745癈 obtained from the isothermal DSC observation. This result proves that Semenov theory of spontaneous ignition is also feasible for TE synthesis in binary metallic systems like Ti-75 at. pct Al system.

Estimation of Critical Temperature of Thermal Explosion for Trinitromethyl Explosives by Non-isothermal DSC

Two general expressions and their six derived formulae for estimating the critical temperature（Tb） of thermal explosion for energetic materials（EMs） were derived from the Semenov＇s thermal explosion theory and eight non-isothermal kinetic equations via reasonable hypothesis. We can easily obtain the values of the initial temperature（T0i） at which DSC curve deviates from the baseline of the non-isothermal DSC curve of EMs, the onset temperature（Tei）, the exothermic decomposition reaction kinetic parameters and the values of Too and Te0 from the equation Toiorei=Tooore0＋α1β1＋α2β2＋...＋αL-2βi^L-2, i=1, 2, …, L and then calculate the values of Tb by means of the six derived formulae. The results obtained with the six derived calculating methods for six trinitromethyl explosives： bis（2,2,2- trinitroethyl-N-nitro） ethylene diamine（BTNEDA）, 2,2,2-trinitroethyl-4,4,4-trinitrobutyrate（TNETB）, bis（2,2,2- trinitroethyl） formal（BNTF）, bis（2,2,2-trinitroethyl-nitramine）（BTNNA）, 2,2,2-trinitroethyl-2,2,2-trinitroethyl-N- nitroamino acetate（TNTNNA） and tetrakis [2,2,2-trinitroethyl] orthoester（TTNOE） agree well with each other.

Lane-Emden equations of second kind modelling thermal explosion in infinite cylinder and sphere

We study a modified version of the Lane-Emden equation of the second kind modelling a thermal explosion in an infinite cylinder and a sphere. We first show that the solution to the relevant boundary value problem is bounded and that the solutions are monotone decreasing. The upper bound, the value of the solution at zero, can be approximated analytically in terms of the physical parameters. We obtain solutions to the boundary value problem, using both the Taylor series （which work well for weak nonlinearity） and the b-expansion method （valid for strong nonlinearity）. From here, we are able to deduce the qualitative behavior of the solution profiles with a change in any one of the physical parameters.

Thermal explosion of a reactive gas mixture at constant pressure for non-uniform and uniform temperature systems

In this study,the approximate and exact solutions for the stationary-state of the solids model with neglecting reactant consumption for both non-uniform and uniform temperature systems were applied on gas ignition under a constant pressure condition.The criticality conditions for a slab,an infinite cylinder,and a sphere are determined and discussed using dimensionless temperatures under constant ambient and surface temperatures for a non-uniform temperature system.Exact solution for a Semenov model with convection heat loss was also presented.The solution of the Semenov problem for constant volume or density as a solid and constant pressure were compared.The critical parameterδis calculated and compared with those of Frank-Kamenetskii solution values.The validation of the calculated ignition temperatures with other exact solution and experimental results were offered.The relation between critical parameters form Semenov and F.K.models solution was introduced.

A New Method Based on the Non-isothermal Kinetic Equation to Estimate the Critical Temperature of Thermal Explosion for Energetic Materials Using Non-isothermal DSC

A method for estimating the critical temperature of thermal explosion for energetic materials using differential scanning calorimetry (DSC) measurement is derived from the Semenov's thermal explosion theory and the non-isothermal kinetic equation based on Harcourt-Esson's kinetic equation.The result obtained from this method coincides completely with that of the Hu-Yang-Liang-Wu method.

Evaluation of Thermal Hazard of Composite Modified Double-base Propellant by Microcalorimetery Method

The thermal decomposition behavior of composite modified double-base（CMDB） propellant containing cyclotrimethylene trinitramine（RDX） was studied via a Calvet microcalorimeter at five different heating rates. The activation energy（E） and the pre-exponential factor（A） of two obvious exothermic processes were obtained by Kissinger＇s method and Ozawa＇s method. The entropy of activation（△S^≠）, the enthalpy of activation（△H^≠）, and the free energy of activation（△G^≠） of the first stage were calculated. To evaluate the thermal hazard of the RDX-CMDB propellant, the critical temperature of thermal explosion（Tb）, the self acceleration decomposition temperature（Tsgox）, the adiabatic decomposition temperature increment（ATad） and the time-to-explosion of adiabatic system（t） were presented as 145.3 ℃, 138.15 ℃, 1634 K and 583.71 s（n=0） and 586.28 s（n=1）, respectively.

In-situ TiC_P/Al Composites Prepared by TE/QP Method

An in-situ TiCp/Al composite was prepared by a thermal explosion/quick pressure method （TE/QP）. The effect of Al content on the reaction temperature as well as the reaction rate has been studied. Phase constituents and the microstructure of the composites and the particle size of the reinforcement were analysed using X-ray diffraction （XRD） and scanning electron microscopy （SEM）. The results have shown that TiCp/Al composite with 40～70 vol. pct TiC particle reinforcement and high relative density can be directly obtained by TE/QP. TiC is the only reaction product when Al content in Al-Ti-C system is no more than 60 vol. pct, but Al3Ti phase will also form when Al content is more than 60 vol. pct. Increasing Al content prolongs the initial reaction time, reduces the highest reaction temperature and the reaction rate, and decreases the size of TiC particles. In addition, the microstructure of TiCp/Al composite and the structure of interface between TiCp and Al are studied using SEM and transmission electron microscopy （TEM）. The results show that the in-situ synthesized TiC particle has fcc cubic structure. The orientation between TiC particles and Al matrix can be described as （220）Al//（022）TiC and [112]Al//[011]TiC. Results of the mechanical property tests reveal that the ultimate strength （σ） and modulus （E） are 687 MPa and 142 GPa respectively when the Al content is 40 vol. pct. On contrary, 6 elongation increases by 3.2% with increasing Al content.

Zr_(2)SeB and Hf_(2)SeB:Two new MAB phase compounds with the Cr_(2)AlC-type MAX phase(211 phase)crystal structures

The ternary or quaternary layered compounds called MAB phases are frequently mentioned recently together with the well-known MAX phases.However,MAB phases are generally referred to layered transition metal borides,while MAX phases are layered transition metal carbides and nitrides with different types of crystal structure although they share the common nano-laminated structure characteristics.In order to prove that MAB phases can share the same type of crystal structure with MAX phases and extend the composition window of MAX phases from carbides and nitrides to borides,two new MAB phase compounds Zr_(2)SeB and Hf_(2)SeB with the Cr_(2)AlC-type MAX phase(211 phase)crystal structure were discovered by a combination of first-principles calculations and experimental verification in this work.First-principles calculations predicted the stability and lattice parameters of the two new MAB phase compounds Zr_(2)SeB and Hf_(2)SeB.Then they were successfully synthesized by using a thermal explosion method in a spark plasma sintering(SPS)furnace.The crystal structures of Zr_(2)SeB and Hf_(2)SeB were determined by a combination of the X-ray diffraction(XRD),scanning electron microscopy(SEM),and high-resolution transmission electron microscopy(HRTEM).The lattice parameters of Zr_(2)SeB and Hf_(2)SeB are a=3.64398Å,c=12.63223Åand a=3.52280Å,c=12.47804Å,respectively.And the atomic positions are M at 4f(1/3,2/3,0.60288[Zr]or 0.59889[Hf]),Se at 2c(1/3,2/3,1/4),and B at 2a(0,0,0).And the atomic stacking sequences follow those of the Cr_(2)AlC-type MAX phases.This work opens up the composition window for the MAB phases and MAX phases and will trigger the interests of material scientists and physicists to explore new compounds and properties in this new family of materials.

Preparation, Crystal Structure and Properties of a New Crystal Form of Diammonium 5,5＇-bistetrazole-1,1＇-diolate

A new crystal form of diammonium 5,5＇-bistetrazole-1,1＇-diolate （1） was prepared by two novel methods and fully characterized by using IR, NMR spectroscopy, elementary analysis, single crystal X-ray crystallography and thermal gravity/differential thermal analysis （TG/DTA）. Crystalline 1 was found as monoclinic and space group of P21/c （14）. The TG/DTA analysis showed that the decomposition temperature of 1 was 287.8℃ with a mass loss of 91.2% in the range of 220-300℃ at a heating rate of 5℃/min. The sensitivities test towards impact, friction of 1 indicated that 1 has much lower sensitivities than those of RDX/HMX and is comparable to those of TNT, which suggested that 1 could be used as a good candidate of new insensitive energetic compound.