Quantitative analysis of CL-20 explosive by smartphone-based chemiluminescence method.

A new smartphone-based chemiluminescence method has been introduced for the quantitative analysis of CL-20 (Hexanitroazaisowuertzitan) explosive. The solvent mixture, oxidizer agent, and concentration of the reactants were optimized using statistical procedures. CL-20 explosive showed a quenching effect on the chemiluminescence intensity of the luminol-NaClO reaction in the solvent mixture of DMSO/HO.

Coupling of the optimized electro-Fenton-like process with pulsed laser ablation method to produce bimetallic nanoparticles of Fe°/Cu° and Fe°/Zn° in treatment of thiophene aqueous samples.

In this study, an electro-Fenton-like method in the presence of iron particles was used for degradation of toxic thiophene pollutant from aqueous samples with performance >99%. In an electrolytic reactor, the effect of current density, HO dosage, and pH of the sample on the treatment efficiency was investigated and optimized using the response surface method in the experimental design methodology. The conditions were optimized in current density of 20 mA/cm, HO dosage 500 ppm and pH = 3.

Bleaching Kinetic and Mechanism Study of Congo Red Catalyzed by ZrO2 Nanoparticles Prepared by Using a Simple Precipitation Method.

Bleaching of Congo red catalyzed by ZrO2 nanoparticles was study under UV and sunlight irradiations. The nanoparticles of ZrO2 have been synthesized by controlled precipitation method. The concentration of ZrOCl2 and ammonia reactants and the calcinations temperature of ZrO2 were optimized for the control of nanoparticles size.

A reliable simple method to estimate density of nitroaliphatics, nitrate esters and nitramines.

In this work, a new simple method is presented to estimate crystal density of three important classes of explosives including nitroalphatics, nitrate esters and nitramines. This method allows reliable prediction of detonation performance for the above compounds. It uses a new general correlation containing important explosive parameters such as the number of carbon, hydrogen, nitrogen and two other structural parameters.

Reliable prediction of electric spark sensitivity of nitramines: a general correlation with detonation pressure.

For nitramines, a general correlation has been introduced to predict electric spark sensitivity through detonation pressure. New method uses maximum obtainable detonation pressure as a fundamental relation so that it can be corrected for some nitramines which have some specific molecular structure. There is no need to use crystal density and heat of formation of nitramine explosives for predicting detonation pressure and electric spark sensitivity.

Copper(I)-bathocuproine complex as carrier in iodide-selective electrode.

A PVC membrane electrode for iodide ions based on Cu(I)-bathocuproine as ionophore in membrane composition is prepared. The electrode exhibits a linear response over a wide concentration range 5.0x10(-6) to 2.

Nanoparticles of zinc sulfide doped with manganese, nickel and copper as nanophotocatalyst in the degradation of organic dyes.

Nanoparticles of zinc sulfide as undoped and doped with manganese, nickel and copper were used as photocatalyst in the photodegradation of methylene blue and safranin as color pollutants. Photoreactivity of doped zinc sulfide was varied with dopant, mole fraction of dopant to zinc ion, pH of solution, dosage of photocatalyst and concentration of dye. The characterization of nanoparticles was studied using X-ray powder diffraction (XRD) patterns and UV-vis spectra.

Predicting activation energy of thermolysis of polynitro arenes through molecular structure.

The paper presents a new method for activation energy or the Arrhenius parameter E(a) of the thermolysis in the condensed state for different polynitro arenes as an important class of energetic molecules. The methodology assumes that E(a) of a polynitro arene with general formula C(a)H(b)N(c)O(d) can be expressed as a function of optimized elemental composition as well as the contribution of specific molecular structural parameters. The new method can predict E(a) of the thermolysis under conditions of Soviet Manometric Method (SMM), which can be related to the other convenient methods.

New approach for predicting melting point of carbocyclic nitroaromatic compounds.

A simple correlation has been introduced to estimate melting point of carbocyclic nitroaromatic compounds. The methodology assumes that melting point of a carbocyclic nitroaromatic compound with general formula C(a)H(b)N(c)O(d) can be expressed as a function of the number of hydrogen and nitrogen atoms as well as the contribution of some specific functional groups and the existence of ortho or para isomers in disubstituted benzene ring. Predicted melting points using the method described herein and group contribution method of Joback and Reid [K.

Prediction of shock sensitivity of explosives based on small-scale gap test.

A new method is described to predict shock sensitivity of C(a)H(b)N(c)O(d) explosives without using any experimental data. It can determine shock sensitivity based on small-scale gap test as the pressure required to initiate material pressed to 90%, 95% and 98% of theoretical maximum density. Three essential parameters would be needed in the new scheme which contain a+b/2-d, the existence of alpha-C-H linkage in nitroaromatic compounds or NNO(2) functional group and difference of the number of amino and nitro groups attached to aromatic ring.

Novel correlation for predicting impact sensitivity of nitroheterocyclic energetic molecules.

A novel correlation is introduced for predicting impact sensitivity of a variety nitroheterocyclic molecular types, such as nitropyridines, nitroimidazoles, nitropyrazoles, nitrofurazanes, nitrotriazoles and nitropyrimidines. This approach is based on elemental composition and two structural parameters of C(a)H(b)N(c)O(d) nitroheterocyclic energetic compounds. The results for mentioned compounds are compared with complex neural networks computations which use compositional and topological descriptors.

Simple empirical method for prediction of impact sensitivity of selected class of explosives.

A new approach is described in this work to predict impact sensitivity of a variety of polynitroaliphatics, polynitroaromatics and the explosives containing N-NO2. This paper introduces some simple correlations for prediction of impact sensitivity of C(a)H(b)N(c)O(d) explosives using a, b, c, d, molecular weight and structure information of the explosive. The new correlations are applied to test different polynitroaromatics, benzofuroxans and nitramines.