Tunable interfacial interaction intensity: Construction of a bio-inspired interface between polydopamine and energetic crystals

Lin, Congmei; Gong, Feiyan; Qian, Wen; Huang, Xiaona; Tu, Xiaoqing; Sun, Guangai; Bai, Liangfei; Wen, Yushi; Yang, Zhijian; Li, Jiang; Guo, Shaoyun

doi:10.1016/j.compscitech.2021.108816

Cited by 17 publications

(4 citation statements)

References 37 publications

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“…Therefore, during crystal growth, the interactions between the RDX crystal and the solvent molecules can be largely affected by these two facets, resulting in the domination of these two facets on the final crystal morphology of RDX, which, however, will need more support from theoretical calculations in the future. More importantly, this regular charge distribution and unique morphology of the {111} and {210} facets are considered to have a great influence on the microstructure and adhesive properties of the interface between the RDX crystal and the polymer binder, as well as the mechanical property of RDX-based PBXs or propellants in practical applications. − …”

Section: Resultsmentioning

confidence: 99%

Exposed Facets and Surface Properties of Highly Explosive RDX Studied by the Crystal-Face-Indexing Method and Theoretical Calculations

Wei,

Chen,

et al. 2024

Crystal Growth & Design

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The crystal morphology of highly explosive cyclotrimethylenetrinitramine (hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX)) has been characterized by the crystal-face-indexing method in combination with single-crystal X-ray diffraction and rotation imaging techniques. As a result, the morphology importance of the facets in RDX crystals grown in acetone and dimethyl sulfoxide (DMSO) is on the order of (111) ≈ (210) > (021) ≈ (102) > (001) ≈ (010) ≈ (100) and (111) > (210) > (010) > (001) ≈ (021), respectively. Crystal sizes have also been measured along the a-, b-, and c-axes, which show a less-preferred orientation of RDX crystals than octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) crystals. In addition, the {111} and {210} facets show good thermodynamic stability, while the appearance of the other facets is dynamically affected by solution conditions during the growth of RDX crystals from the hundred-micrometer scale to the millimeter scale. After crystal face indexing, surface models were built for the dominant {111} and {210} facets as well as the special {010} facet. On the surface of the {111} facet, the outstanding H and O atoms lead to a regular arrangement of positive and negative charges. For the {210} facet, twisted grooves are observed on the surface in the Connelly surface model. More interestingly, large hollows with dimensions of 11.6 × 11.8 Å2 are generated on the surface of the {010} facet. The high adsorption ability of the hollows to DMSO molecules plays a key role in the enhanced morphology importance of the {010} facet in DMSO, as evidenced by molecular dynamics simulations. All of these results can be applied to the morphology control of energetic crystals and will be a good reference to the interfacial interaction of the RDX crystal in both polymer-bonded explosives (PBXs) and propellants.

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Section: Resultsmentioning

confidence: 99%

Exposed Facets and Surface Properties of Highly Explosive RDX Studied by the Crystal-Face-Indexing Method and Theoretical Calculations

Wei,

Chen,

et al. 2024

Crystal Growth & Design

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“…Dopamine hydrochloride and hydroxymethyl aminomethane (Tris) were used for first-step coating, being purchased from Sigma-Aldrich. The two neutral bonding agents (NBA) used for surface coating were ternary copolymer compounds containing cyano (À CN) functional groups with a universal structure shown in Figure 1(b), and the À CN had been proved to interact with the explosive molecule [24][25]. NBA with different monomer ratios were labeled as NBA-1 and NBA-2, and the two kinds of NBA contained the N wt.% of about 20 % and 8 % respectively.…”

Section: Methodsmentioning

confidence: 99%

Study on Mechanical Improvement of CL‐20 Energetic Co‐Crystals Based PBX by Surface Modification

Zeng

Yang

Liu

et al. 2023

Propellants Explo Pyrotec

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Low melting point compound MTNP was usually adopt to form co-crystal explosive with CL-20 to reduce sensitivity, and the co-crystal may have the potential of green engineering application. Improving mechanical properties of co-crystals explosive is one of the effective ways to broaden its practical application. In this work, CL-20/MTNP energetic co-crystal was selected to be coated by polydopamine (PDA) and neutral bonding agent (NBA), with enhanced mechanical properties and developed interfacial strength between crystal and binder. The TG-DSC curve showed that thermal decomposition of co-crystal ex-plosives divided into two steps, and the melting point delayed to 210 °C compared with that of MTNP. After surface modification, the storage modulus of PBX was increased by more than 20 % at the temperature range of (25-120) °C, and creep strain was also effectively reduced. The Brazilian and compressive strength of PDA coating samples increased by 69.89 % and 210.53 % respectively, as well as improved elongation, leading to increased fracture toughness.Here, the highlighted modification on the surface of CL-20/ MTNP co-crystal can be used as a reference insight to improve the mechanical properties of new explosives.

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“…Moreover, they proposed a new model combining the chemical "interactional bonding" and physical "interlocking block" at the interface to explain the enhancement of mechanical properties which are demonstrated as hydrogen bonds and π-π interactions between the PDA and polymer binder, and increased roughness on the crystal surface, respectively. According to He's model, Lin designed and fabricated PDA-coated HMX, TATB, and 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105), and used these modified explosive crystals in PBXs [33,34]. The compressive and tensile strength of coated LLM-105-based PBX could be improved by 27-52% and 47-100%, respectively.…”

Section: Interfacial Bonding and Mechanical Enhancement Of Energetic ...mentioning

confidence: 99%

“…Another attempt to improve the mechanical properties is by grafting polymer bind- According to He's model, Lin designed and fabricated PDA-coated HMX, TATB, and 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105), and used these modified explosive crystals in PBXs [33,34]. The compressive and tensile strength of coated LLM-105-based PBX could be improved by 27-52% and 47-100%, respectively.…”

Section: Interfacial Bonding and Mechanical Enhancement Of Energetic ...mentioning

confidence: 99%

Recent Advances in Polydopamine for Surface Modification and Enhancement of Energetic Materials: A Mini-Review

Qin

Li²,

et al. 2023

Crystals

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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.

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Tunable interfacial interaction intensity: Construction of a bio-inspired interface between polydopamine and energetic crystals

Cited by 17 publications

References 37 publications

Exposed Facets and Surface Properties of Highly Explosive RDX Studied by the Crystal-Face-Indexing Method and Theoretical Calculations

Exposed Facets and Surface Properties of Highly Explosive RDX Studied by the Crystal-Face-Indexing Method and Theoretical Calculations

Study on Mechanical Improvement of CL‐20 Energetic Co‐Crystals Based PBX by Surface Modification

Recent Advances in Polydopamine for Surface Modification and Enhancement of Energetic Materials: A Mini-Review

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