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Determining the Polymorphic Purity of ε-CL20 Contaminated by Other Polymorphs through the Use of FTIR Spectroscopy with PLS Regression
Article first published online: 29 MAR 2012
DOI: 10.1002/prep.200900090
Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
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How to Cite
Dumas, S., Gauvrit, J. Y. and Lanteri, P. (2012), Determining the Polymorphic Purity of ε-CL20 Contaminated by Other Polymorphs through the Use of FTIR Spectroscopy with PLS Regression. Propellants, Explosives, Pyrotechnics, 37: 230–234. doi: 10.1002/prep.200900090
Publication History
- Issue published online: 16 APR 2012
- Article first published online: 29 MAR 2012
- Manuscript Revised: 15 JAN 2011
- Manuscript Received: 22 OCT 2009
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Keywords:
- Polymorphs of CL20 (HNIW);
- FTIR spectroscopy;
- PLS regression
Abstract
CL20 (HNIW=hexanitrohexaazaisowurtzitane), is an energetic molecule that presents four polymorphs (called alpha (α-), beta (β-), gamma (γ-), and epsilon (ε-)). The ε form is the one used in propellant formulations (the rocket combustive agent). On the one hand, a method developed to measure the purity of this form should be the most reliable one. On the other hand, the amount of impurities – alpha (α-), beta (β-), gamma (γ-), and of the monoacetylatedpentanitrated compound (PN) – should be taken into account in order to assess the influence of the impurities on this propellant. The aim of this work is to develop a quantitative analytical method to measure the polymorphic composition of CL20 using FTIR-MIR spectroscopy and PLS regression.