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Special Issue "Advanced Chemistry of Energetic Materials"

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Materials Chemistry".

Deadline for manuscript submissions: 29 February 2020.

Special Issue Editor

Prof. Svatopluk Zeman
E-Mail Website
Guest Editor
Institute of Energetic Materials, Faculty of Chemical Technology, University of Pardubice, Pardubice, Czech Republic
Interests: Initiatory reactivity of energetic materials; Development of new explosives

Special Issue Information

Dear Colleagues,

Over the past 30 years, there has been an unprecedented increase of information from chemistry and less so from technology of energetic materials (EMs) in the open literature. However, a large amount of that information here has turned labyrinthine in its form, and the presence of a bigger amount of quantum-chemical studies is leading to a certain “diluting” of the chemical information available. Therefore, it would be useful to draw attention to the methods and findings of major importance for further research and development in this field, even for the mentioned quantum-chemical approaches, which often lack links to real practice, especially with EM testing. Of course, the publication of technological information is bound up with production and other secrets, but it is still possible to find papers pointing to developments in this field—for example, new approaches to prepare of CL-20, HMX, FOX-7, TKX-50, BCHMX and other technically attractive EMs. Crystal engineering, that is to say, the theory, methods, and technologies of co-crystals preparation, which is one of the major and promising sectors of contemporary development of explosives, has experienceed a significant upswing in attempts to use it, as chemical methods have almost reached their maximum usable potential. For this reason, a similar interest also exists in the development of nano-EMs and mixtures containing them, but also mixed explosives of the PBXs type with new binders and plasticizers, in new propellants and, last but not least, in industrial explosives type W/O and others.

Prof. Svatopluk Zeman
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All papers will be peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 1800 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • Energetic heterocyclic compounds
  • Nitramines
  • Polynitroarenes
  • Nitric esters
  • Synthesis
  • Technology
  • Co-crystals
  • Binders
  • Plasticizers
  • Nano-energetic materials
  • Plastic bonded explosives
  • Propellants
  • Industrial explosives
  • Testing
  • Sensitivity
  • Performance

Published Papers (2 papers)

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Research

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Open AccessArticle
Comparative Theoretical Studies on a Series of Novel Energetic Salts Composed of 4,8-Dihydrodifurazano[3,4-b,e]pyrazine-based Anions and Ammonium-based Cations
Molecules 2019, 24(18), 3213; https://doi.org/10.3390/molecules24183213 - 04 Sep 2019
Abstract
4,8-Dihydrodifurazano[3,4-b,e]pyrazine (DFP) is one kind of parent compound for the synthesis of various promising difurazanopyrazine derivatives. In this paper, eleven series of energetic salts composed of 4,8-dihydrodifurazano[3,4-b,e]pyrazine-based anions and ammonium-based cations were designed. Their densities, [...] Read more.
4,8-Dihydrodifurazano[3,4-b,e]pyrazine (DFP) is one kind of parent compound for the synthesis of various promising difurazanopyrazine derivatives. In this paper, eleven series of energetic salts composed of 4,8-dihydrodifurazano[3,4-b,e]pyrazine-based anions and ammonium-based cations were designed. Their densities, heats of formation, energetic properties, impact sensitivity, and thermodynamics of formation were studied and compared based on density functional theory and volume-based thermodynamics method. Results show that ammonium and hydroxylammonium salts exhibit higher densities and more excellent detonation performance than guanidinium and triaminoguanidinium salts. Therein, the substitution with electron-withdrawing groups (–NO2, –CH2NF2, –CH2ONO2, –C(NO2)3, –CH2N3) contributes to enhancing the densities, heats of formation, and detonation properties of the title salts, and the substitution of –C(NO2)3 features the best performance. Incorporating N–O oxidation bond to difurazano[3,4-b,e]pyrazine anion gives a rise to the detonation performance of the title salts, while increasing their impact sensitivity meanwhile. Importantly, triaminoguanidinium 4,8-dihydrodifurazano[3,4-b,e]pyrazine (J4) has been successfully synthesized. The experimentally determined density and H50 value of J4 are 1.602 g/cm3 and higher than 112 cm, which are consistent with theoretical values, supporting the reliability of calculation methods. J4 proves to be a thermally stable and energetic explosive with decomposition peak temperature of 216.7 °C, detonation velocity 7732 m/s, and detonation pressure 25.42 GPa, respectively. These results confirm that the derivative work in furazanopyrazine compounds is an effective strategy to design and screen out potential candidates for high-performance energetic salts. Full article
(This article belongs to the Special Issue Advanced Chemistry of Energetic Materials)
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Review

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Open AccessReview
A Review on the Reactivity of 1-Amino-2-Nitroguanidine (ANQ)
Molecules 2019, 24(19), 3616; https://doi.org/10.3390/molecules24193616 - 08 Oct 2019
Abstract
1-Amino-2-nitroguanidine (ANQ) is a high-energy nitrogen-rich compound with good detonation properties and low sensitivities. ANQ has only a central carbon atom with three small groups around it, including an amino, a hydrazine and a nitroxyl group. Though the molecular structure of ANQ is [...] Read more.
1-Amino-2-nitroguanidine (ANQ) is a high-energy nitrogen-rich compound with good detonation properties and low sensitivities. ANQ has only a central carbon atom with three small groups around it, including an amino, a hydrazine and a nitroxyl group. Though the molecular structure of ANQ is very simple, its reactivity is surprisingly abundant. ANQ can undergo various reactions, including reduction reaction, acylation reaction, salification reaction, coordination reaction, aldimine condensation reaction, cyclization reaction and azide reaction. Many new energetic compounds were purposely obtained through these reactions. These reactions were systematically summarized in this review, and detonation properties of some energetic compounds were compared. In the field of energetic materials, ANQ and some derivatives exhibit good application prospects. Full article
(This article belongs to the Special Issue Advanced Chemistry of Energetic Materials)
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