静态和动态压缩下s-三嗪的相变和化学稳定性

IF 2.8 3区 化学 Q3 CHEMISTRY, PHYSICAL
Qingqing Yang , Chaosheng Yuan , Yongfu Liang , Xiang Zhu , Zheng Wang , Xuerui Cheng , Lei Su
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引用次数: 0

摘要

研究了1,3,5-三嗪(s-三嗪)在静态和动态压缩下的高压行为,以阐明压缩率对其相变和化学反应的影响。静态压缩实验表明,s-三嗪在0.69 GPa时发生了从I相到II相的相变,在10.84 GPa以上发生了化学反应。然而,动态压缩导致了化学性质更稳定的超压II相,其结构保持在17.32 GPa。对压缩率的不同反应表明,动态压缩诱导s-三嗪的亚稳态结构,消耗能量,阻止低于能量阈值的化学反应。这项研究强调了压缩率在确定高压下s-三嗪的化学和物理性质方面的重要性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Phase transition and chemical stability of s-Triazine under static and dynamic compression

Phase transition and chemical stability of s-Triazine under static and dynamic compression
The high-pressure behaviors of 1,3,5-triazine (s-triazine) was investigated under static and dynamic compression to elucidate the effects of compression rate on its phase transitions and chemical reactions. Static compression experiments revealed that s-triazine underwent a phase transition from phase I to phase II at 0.69 GPa and initiated chemical reactions above 10.84 GPa. Dynamic compression, however, resulted in a more chemically stable overpressure phase II’, which maintained its structure up to 17.32 GPa. The distinct responses to compression rates suggest that dynamic compression induces metastable structures of s-triazine that consume energy, preventing chemical reactions below the energy threshold. This study highlights the importance of compression rate in determining the chemical and physical properties of s-triazine under high pressure.
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来源期刊
Chemical Physics Letters
Chemical Physics Letters 化学-物理:原子、分子和化学物理
CiteScore
5.70
自引率
3.60%
发文量
798
审稿时长
33 days
期刊介绍: Chemical Physics Letters has an open access mirror journal, Chemical Physics Letters: X, sharing the same aims and scope, editorial team, submission system and rigorous peer review. Chemical Physics Letters publishes brief reports on molecules, interfaces, condensed phases, nanomaterials and nanostructures, polymers, biomolecular systems, and energy conversion and storage. Criteria for publication are quality, urgency and impact. Further, experimental results reported in the journal have direct relevance for theory, and theoretical developments or non-routine computations relate directly to experiment. Manuscripts must satisfy these criteria and should not be minor extensions of previous work.
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