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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >High pressure-high temperature polymorphism and decomposition of pentaerythritol tetranitrate (PETN)
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High pressure-high temperature polymorphism and decomposition of pentaerythritol tetranitrate (PETN)

机译：季戊四醇四硝酸酯（PETN）的高温高压多态性和分解

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摘要

To elucidate the behavior of PETN at thermo-mechanical conditions relevant for shock initiation, Raman spectroscopy, and optical imaging were used to examine its static high pressure and high temperature (HP-HT) response. Experiments were performed on single crystals in a heated diamond anvil cell at pressures to 14 GPa and temperatures ranging from room temperatures to 550 K. Regarding the pressure-induced PETN-I transition to PETN-III at room temperature, our results show that nonhydrostaticity plays an important role in driving this transition. Furthermore, we found that PETN-III transforms to PETN-IV at high temperatures, and this transformation can involve lowering of molecular symmetry from C_2 to C_1. The HP-HT phase diagram for PETN presented here includes the melting/decomposition curve and boundaries between three PETN phases: PETN-I, PETN-III, and PETN-IV. The relevance of static compression results for shock initiation of PETN is discussed.
机译：为了阐明PETN在与冲击引发有关的热机械条件下的行为，拉曼光谱法和光学成像技术用于检查PETN的静态高压和高温（HP-HT）反应。在加热的金刚石砧室中，在压力至14 GPa，温度从室温至550 K的温度下，对单晶进行了实验。关于在室温下压力诱导的PETN-I向PETN-III的转变，我们的结果表明非静水力在推动这一转变中发挥着重要作用。此外，我们发现PETN-III在高温下会转变为PETN-IV，并且这种转变可能涉及分子对称性从C_2降低到C_1。此处显示的PETN的HP-HT相图包括熔解/分解曲线和三个PETN相之间的边界：PETN-1，PETN-III和PETN-IV。讨论了静态压缩结果与PETN冲击引发的相关性。

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