2,4,6‐Trinitrotoluene – A Useful Starting Compound in the Synthesis of Modern Energetic Compounds

This review presents history, properties, and environmental fate of 2,4,6‐trinitrotoluene (TNT). Industrial methods of TNT production are discussed, as are several energetic derivatives of TNT. The performances and applications of these TNT derivatives are also described.     

Improved wood–kirkwood detonation chemical kinetics

We report an improved implementation of the Wood–Kirkwood kinetic detonation model based on a multi-species Buckingham exponential-6 equation of state (EOS) and multiple reaction rate laws. The exp-6 EOS allows for treatment of chemical systems at a statistical mechanics level, instead of an atomistic level. Finite global rate laws are used for the slowest chemical reactions. Other reactions are given infinite rates and are kept in constant thermodynamic equilibrium. The global rates do not necessarily correspond to a specific physical process, but rather to the sum total of slow physical processes. We model ideal and non-ideal composite energetic materials. We find that using the exp-6 non-ideal model improves the accuracy. The detonation velocity as a function of charge radius is also correctly reproduced. Contribution to the Mark S. Gordon on 65th Birthday Festschrift Issue.     

A chloride-anion insensitive colorimetric chemosensor for trinitrobenzene and picric acid

A new receptor, the bisTTF-calix[2]thiophene[2]pyrrole derivative 3, has been prepared from the Lewis acid-catalyzed condensation of 2,5-bis(1-hydroxymethylethyl)thiopheno-TTF and pyrrole. This new system is found to form complexes with the electron-deficient guests, trinitrobenzene (TNB) and picric acid (PA), which serve as models for nitroaromatic explosives. The binding phenomenon, which has been studied in organic solution using proton nuclear magnetic resonance and absorption spectroscopies, results in an easy-to-visualize color change in chloroform that is independent of the presence of chloride anion, a known interferant for an earlier tetrakisTTF-calix[4]pyrrole TNB chemosensor. Support for the proposed binding mode comes from a preliminary solid state structure of the complex formed from TNB, namely TNB⊂3. A color change is also observed when dichloromethane solutions of chemosensor 3 are added to solvent-free samples of TNB, PA, and 2,4,6-trinitrotoluene supported on silica gel. Figure A new bis-tetrathiafulvalene calix[2]thiophene[2]pyrrole derivative has been prepared that gives rise to an easy-to-visualize color change in the presence of the model nitroaromatic explosives trinitrobenzene and picric acid. Electronic supplementary material  The online version of this article (doi:) contains supplementary material, which is available to authorized users.

Prediction of near field overpressure from quarry blasting

This paper investigates the propagation of airblast or pressure waves in air produced by bench blasting (i.e. detonation of the explosive in a row of blastholes, breaking the burden of rock towards the free vertical face of the block). Peak overpressure is calculated as a function of blasting parameters (explosive mass per delay and velocity at which the detonation sequence proceeds along the bench) and the polar coordinates of the position of interest (distance to the source and azimuth with respect to the free face). The model has been fitted to empirical data using linear least squares. The data set is composed of 122 airblast records monitored at distances less than 400 m in 41 production blasts carried out in two quarries. The model is statistically significant and has a determination coefficient of 0.87. The formula is validated from 12 airblast measurements gathered in five additional blasts.     

Existence of entire explosive positive radial solutions for a class of quasilinear elliptic systems

We show the existence of entire explosive positive radial solutions for quasilinear elliptic systems div(|∇u|^m−2∇u)=p(|x|)g(v), div(|∇v|ⁿ⁻²∇v)=q(|x|)f(u) on , where f and g are positive and non-decreasing functions on (0,∞) satisfying the Keller-Osserman condition.     

Infrared spectra and molecular structure: Part II. N-methyl- and N,N-dimethylaminobenzoic acids

Infrared spectra of N-methyl- and N,N-dimethylaminobenzoic acids have been investigated. All the acids except N,N-dimethylanthranilic acid showed neutral structures in the solid state. The N,N-dimethylanthranilic acid, however, exhibited a dipolar structure with strong intramolecular hydrogen bonding in the solid state while in solution it is neutral.     

二维磁流体力学程序MFCG Ⅱ与MFCG Ⅰ计算结果的对比分析

 根据磁场、电流密度和感应电流的解析公式研制了爆炸磁通压缩发生器充电和爆磁压缩过程的计算程序MFCG Ⅱ。在相同条件下用该程序和二维磁流体力学程序MFCG Ⅰ分别计算相同模型所得结果符合较好。因此用MFCG Ⅱ可分析、解释MFCG实验中有关的物理问题。     

有应用前景的低感高能炸药研究进展

概述了有应用前景的高能低感炸药的研究成果,从改善现有高能炸药晶体品质和合成新的高能低感炸药方面,总结了大幅度降低炸药冲击波感度的研究现状。     

TATB/聚三氟氯乙烯复合材料力学性能的MD模拟

Molecular dynamics（MD）was performed to simulate and calculate the combination energy and static mechanical properties（i. e. elastic coefficient,modulus and poisson's ratio）of composite material,1,3,5-triamino-2,4,6-trinitrobenzene coated with polychlorotrifluoethylene（TATB / PCTFE）. It is found that the intermolecular interaction especially H-bond is quite strong. The results show that the elastic properties of Fluorine-Polymer Bonded Explosive（PBX）have changed much compared to those of pure TATB. Its tensile modulus,bulk modulus and shear modulus are reduced evidently. The rigidity of PBX is lowered while the elasticity is increased,which manifests the mechanical property of PBX is improved greatly.     

Optical spectroscopy to study confined and semi-closed explosions of homogeneous and composite charges

Confined and semi-closed explosions of new class of energetic composites as well as TNT and RDX charges were investigated using optical spectroscopy. These composites are considered as thermobarics when used in layered charges or enhanced blast explosives when pressed. Two methods to estimate fireball temperature histories of both homogeneous and metallized explosives from the spectroscopic data are also presented, compared and analyzed. Fireball temperature results of the charges detonated in a small explosion chamber under air and argon atmospheres, and detonated in a semi-closed bunker are presented and compared with theoretical ones calculated by a thermochemical code. Important conclusions about the fireball temperatures and the physical and chemical phenomena occurring after the detonation of homogeneous explosives and composite formulations are deduced.