Co-Crystals and Polymorphic Transition in Energetic Materials

A special issue of Crystals (ISSN 2073-4352). This special issue belongs to the section "Crystal Engineering".

Deadline for manuscript submissions: 15 July 2024 | Viewed by 6441

Special Issue Editors

State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing 100081, China
Interests: polymorphic transition inhibition; energetic co-crystals
College of Aerospace and Civil Engineering, Harbin Engineering University, Harbin150001, China
Interests: nanomaterials
Institute of Chemical Materials, China Academy of Engineering Physics, Mianyang 621000, China
Interests: molecular dynamics; machine learning; crystal structure prediction

Special Issue Information

Dear Colleagues,

An energetic material’s crystal phases, structure and morphology determine its sensitivity, stability and mechanical properties as well as energetic performance. In recent years, with the development of theoretical calculation and experimental characterization techniques, the in-depth relationship between crystals and their properties has been extensively studied. Co-crystals are fabricated to modify the safety and detonation performances of energetic materials. Inhibition of the polymorphic transition during manufacture and storage has drawn significant attention due to its influence on the stability of energetic composites. Furthermore, the crystal spheroidization of energetic compounds is practically a prerequisite for ideal insensitivity and manufacturability. Crystal engineering occupies an increasingly important role in energetic material applications with emerging practical technology such as resonance acoustic mixing, seed crystal induction and so on.

The present Special Issue, entitled Co-Crystals and Polymorphic Transition in Energetic Materials, aims to examine recent breakthroughs in this burgeoning research field, covering a wide range of topics, including but not limited to:

  • Polymorphism, transition and their influence on energetic materials;
  • Preparation, calculation and characterization of energetic co-crystals;
  • Crystal spheroidization of energetic compounds;
  • Relationship between crystal structure and energetic properties;
  • Simulation and prediction of energetic crystals.

Dr. Yapeng Ou
Dr. Tao Yan
Dr. Siwei Song
Guest Editors

Manuscript Submission Information

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Keywords

  • energetic co-crystals
  • crystal phases control
  • polymorphic transition inhibition
  • crystal structure prediction

Published Papers (3 papers)

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Research

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13 pages, 6405 KiB  
Article
Thermal Decomposition and Solidification Characteristics of BFFO
by Yiming Luo, Ronghui Ju, Bingbo Li, Junjiong Meng and Xuanjun Wang
Crystals 2023, 13(5), 802; https://doi.org/10.3390/cryst13050802 - 10 May 2023
Viewed by 1356
Abstract
A novel energetic material, Bifurazano [3,4-b: 3′,4′-f] furoxano [3″,4″-d] oxacyclo-heptatriene (BFFO), has been investigated regarding two aspects, namely its thermal decomposition and solidification characteristics. The DSC curves indicate that the peak temperature of BFFO decomposition process is 271.1 °C under the static pressure [...] Read more.
A novel energetic material, Bifurazano [3,4-b: 3′,4′-f] furoxano [3″,4″-d] oxacyclo-heptatriene (BFFO), has been investigated regarding two aspects, namely its thermal decomposition and solidification characteristics. The DSC curves indicate that the peak temperature of BFFO decomposition process is 271.1 °C under the static pressure of 2 MPa and the volatility of BFFO at 120 °C is significantly lower than that of TNT, DNAN and DNTF. The solidification curve indicates that the solidification of BFFO is a basic linear uniform solidification process, which is obviously different from that of TNT, DNAN and DNTF. In addition, the facet of BFFO appears much smoother and fewer defects are observed in the solidified body after solidification via CT and SEM. The reduction in solidification defects also further improves the mechanical properties of BFFO, with significant improvements in compressive and tensile strength compared to DNTF, DNAN and TNT. In summary, BFFO is a potential melt-cast carrier explosive with excellent thermal stability, solidification characteristics and mechanical properties. Full article
(This article belongs to the Special Issue Co-Crystals and Polymorphic Transition in Energetic Materials)
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11 pages, 2285 KiB  
Article
Simulation Investigation on Thermal Characteristics of Thermal Battery Activation Process Based on COMSOL
by Yanli Zhu, Kai Li, Erwei Kang, Ting Quan, Ting Sun, Jing Luo and Shengnan Zhao
Crystals 2023, 13(4), 641; https://doi.org/10.3390/cryst13040641 - 9 Apr 2023
Cited by 4 | Viewed by 2077
Abstract
Current thermal simulation methods are not suitable for small-size fast-activation thermal batteries, so this paper provides an improved simulation method to calculate thermal cell temperature changes using the COMSOL platform. A two-dimensional axisymmetric model of thermal batteries has been established, considering the actual [...] Read more.
Current thermal simulation methods are not suitable for small-size fast-activation thermal batteries, so this paper provides an improved simulation method to calculate thermal cell temperature changes using the COMSOL platform. A two-dimensional axisymmetric model of thermal batteries has been established, considering the actual heat release situation and the mobile heat source of thermal batteries. Based on it, the temperature change and electrolyte melting of thermal batteries under high-temperature conditions (50 °C) have been simulated, in which the temperature change law, thermal characteristics, and electrolyte melting characteristics have been analyzed in depth. The results show that the additional heating flakes and insulation design above and below the stack can effectively reduce heat loss. Most of the melting heat of the electrolyte flows in from the negative side. In addition, the thermal battery activation time has been calculated to be 91.2 ms at the moment when all the thermal battery electrolyte sheets begin to melt, and the absolute error was within 10% compared with the experimental results, indicating that the simulation model has high accuracy and can effectively broaden the simulation area of thermal batteries. Full article
(This article belongs to the Special Issue Co-Crystals and Polymorphic Transition in Energetic Materials)
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Review

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9 pages, 2315 KiB  
Review
Recent Advances in Polydopamine for Surface Modification and Enhancement of Energetic Materials: A Mini-Review
by Ziquan Qin, Dapeng Li, Yapeng Ou, Sijia Du, Qingjie Jiao, Jiwu Peng and Ping Liu
Crystals 2023, 13(6), 976; https://doi.org/10.3390/cryst13060976 - 19 Jun 2023
Cited by 1 | Viewed by 2426
Abstract
Polydopamine (PDA), inspired by the adhesive mussel foot proteins, is widely applied in chemical, biological, medical, and material science due to its unique surface coating capability and abundant active sites. Energetic materials (EMs) play an essential role in both military and civilian fields [...] Read more.
Polydopamine (PDA), inspired by the adhesive mussel foot proteins, is widely applied in chemical, biological, medical, and material science due to its unique surface coating capability and abundant active sites. Energetic materials (EMs) play an essential role in both military and civilian fields as a chemical energy source. Recently, PDA was introduced into EMs for the modification of crystal phase stability and the interfacial bonding effect, and, as a result, to enhance the mechanical, thermal, and safety performances. This mini-review summarizes the representative works in PDA modified EMs from three perspectives. Before that, the self-polymerization mechanisms of dopamine and the methods accelerating this process are briefly presented for consideration of researchers in this field. The future directions and remaining issues of PDA in this field are also discussed at last in this mini-review. Full article
(This article belongs to the Special Issue Co-Crystals and Polymorphic Transition in Energetic Materials)
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