02778nas a2200289   4500008004100000022001400041245016700055210006900222260007300291300000900364490000800373520171500381653002802096653002802124653001402152653001602166653002902182653002402211100002002235700001602255700001702271700001802288700001702306700002002323700001902343856012602362       2006                        eng d  a0304-389400aEffect of organic additives on the mitigation of volatility of 1-nitro-3,3 `-dinitroazetidine (TNAZ): next generation powerful melt cast able high energy material0 aEffect of organic additives on the mitigation of volatility of 1  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJUN  a8-180 v1343 a<p>1-Nitro-3,3'-dinitroazetidine(TNAZ) was synthesized based on the lines of reported method. Thermolysis studies on synthesized and characterized TNAZ using differential scanning calorimetry (DSC) and hyphenated TG-FT-IR techniques were undertaken to generate data on decomposition pattern. FF-IR of decomposition products of TNAZ revealed the evolution of oxides of nitrogen and HCN containing species suggesting the cleavage of C/N-NO(2) bond accompanied with the collapse of ring structure. The effect of incorporation of 15% additives namely, 3-amino-1,2,4-triazole(AT), 3,5-diamino-1,2,4-triazole (DAT), carbohydrazide (CHZ), 5,7-dinitrobenzofuroxan (DNBF), bis (2,2-dinitropropyl) succinate (BNPS), triaminoguanidinium nitrate (TAGN), 2,4,6-trinitrobenzoic acid (TNBA) and nitroguanidine (NQ) on the volatility of TNAZ was investigated by undertaking thermogravimetric analysis. The TG pattern brings out the potential of BNPS and TAGN as additives to mitigate the volatility of TNAZ. The influence of additives on thermal decomposition of pattern of TNAZ was also investigated by DSC. The DSC results indicated that the additives did not have appreciable effect on the melting point of TNAZ. Scanning electron microscopic (SEM) studies were carried out to investigate the effect of additives on morphology of TNAZ. This paper also discusses the possible mechanism involved in between the TNAZ and TAGN and BNPS. It appears that the formation of charge transfer complex formation between the TNAZ and TAGN/BNPS. The effect of addition of high explosives such as CL-20, HMX and RDX on thermo-physical characteristics of TNAZ is also reported in this paper. (c) 2005 Elsevier B.V. All rights reserved.</p>10amelt castable explosive10amorphological structure10asynthesis10aThermolysis10atrinitroazetidine (TNAZ)10avolatility behavior1 aTalawar, M., B.1 aSingh, Alok1 aNaik, N., H.1 aPolke, B., G.1 aGore, G., M.1 aAsthana, S., N.1 aGandhe, B., R.  uhttps://library.ncl.res.in/content/effect-organic-additives-mitigation-volatility-1-nitro-33-dinitroazetidine-tnaz-next-002621nas a2200193   4500008004100000022001400041245011400055210006900169260000800238300001400246490000700260520192500267100002502192700002202217700001702239700002402256700002002280856012702300       2019                        eng d  a1466-803300aMorphology of ammonium perchlorate in the presence of ethylene glycol as an additive: a first principle study0 aMorphology of ammonium perchlorate in the presence of ethylene g  cDEC  a7519-75270 v213 a<p>Ammonium perchlorate (AP) is an extensively used crystalline oxidizer in high energy materials and their compositions. A desired morphology of AP is crucial for the high burn rates of solid propellants. We have examined the habit modification of AP crystals in the absence and presence of ethylene glycol as an impurity by means of important parameters such as interaction and surface energies to predict the resultant morphology. On the basis of first principles density functional theory (DFT) calculations of the binding and surface energies before and after the adsorption of the surface-capping agent (ethylene glycol) on the AP surfaces, we have shown that the relative stability of all the important surfaces (100), (101), (011), (001) and (210) rationalize the habit modification of AP crystals. In accordance with the surface energy calculations, the stability order of the five crystallographic surfaces of AP was found to be (001) &gt; (210) &gt; (101) &gt; (100) &gt; (011) in the absence of additive molecules, i.e., in the clean surfaces. This result is in concurrence with the fact that AP crystals richly contain (001) planes when grown in the absence of an additive. The computational methodology applied for the determination of surface energies was found to be reliable as it has well reproduced the stability trend of AP surfaces. However, the trend, (210) &gt; (001) &gt; (101) &gt; (011) &gt; (100), was observed when these surfaces were capped with a known additive molecule, i.e., ethylene glycol. The crystal habit of AP in the presence of ethylene glycol is such that the intensity of the lattice plane (2 1 0) of the modified AP was remarkably high leading to the shape of hexahedral, which is in excellent agreement with the experimental results. A linear fit correlation was also observed between surface energies and interaction energy values for the additive adsorbed AP surfaces.</p>
1 aKhan, Md, Abdul Shaf1 aVijayalakshmi, R.1 aSingh, Avtar1 aNandi, Amiya, Kumar1 aTalawar, M., B.  uhttps://library.ncl.res.in/content/morphology-ammonium-perchlorate-presence-ethylene-glycol-additive-first-principle-study02194nas a2200241   4500008004100000022001400041245008700055210006900142260001000211300001000221490000700231520141300238653002401651653001101675653003301686653002401719653001201743100002201755700002001777700002001797700002501817856011001842       2020                        eng d  a1060-132500aExamining the compatibility of energetic plasticizer DNDA-5 with energetic binders0 aExamining the compatibility of energetic plasticizer DNDA5 with   cJAN 2  a46-540 v573 a<p>The requirement of developing energetic binders with suitable energetic plasticizers is to enhance the mechanical properties and to reduce glass transition temperature of propellant and explosive formulations. Compatibility of energetic plasticizer 2,4-dinitro-2,4-diazapentane (DNDA-5) with four different energetic binders viz. poly glycidyl nitrate (PGN), poly(3-nitratomethyl-3-methyloxetane) (PLN), glycidyl azide polymer (GAP) and tetra functional glycidyl azide polymer (t-GAP) was studied by using differential scanning calorimeter (DSC) and density functional theory (DFT) methods. Results obtained for the pure binder was compared with the results obtained for binder/plasticizer blend in the parameters of decomposition temperature and the format of the peak which indicated the compatibility or incompatibility of DNDA-5 with the studied binders. Glass transition temperatures of all these blends were determined by low temperature DSC and showed desirable lowering of glass transition temperature with single peak in the case of PLN. The proposed energetic plasticizer DNDA-5 has displayed its compatibility with three binders PGN, PLN and GAP employing thermal techniques. DNDA-5 has been found as incompatible when it is mixed with t-GAP. The predicted relative trend of interaction energies between plasticizer and binder has provided concurrence to results drawn from thermal studies.</p>10aComputational study10aDNDA-510aGlass transition temperature10aplasticizing effect10athermal1 aVijayalakshmi, R.1 aAgawane, N., T.1 aTalawar, M., B.1 aKhan, Md, Abdul Shaf  uhttps://library.ncl.res.in/content/examining-compatibility-energetic-plasticizer-dnda-5-energetic-binders