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Keywords = HTPE propellants

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17 pages, 5855 KB  
Article
Research on Passivation Simulation of Plasticizer N-Butylnitroxyethylnitramine (BuNENA) in Hydroxy-Terminated Polyether (HTPE) Propellants
by Zhiming Guo, Riccardo Rossi, Rui Deng, Yuheng Wu, Hanwen Liu, Lin Hao and Xiaolong Fu
Polymers 2025, 17(9), 1147; https://doi.org/10.3390/polym17091147 - 23 Apr 2025
Cited by 1 | Viewed by 1097
Abstract
N-butylnitroxyethylnitramine (BuNENA) is a high-energy plasticizer with high plasticizing ability, low sensitivity, and high energy. It has broad application prospects in HTPE propellants. Nevertheless, as an energetic plasticizer, it requires treatment to reduce its sensitivity. To this end, the passivation process for BuNENA [...] Read more.
N-butylnitroxyethylnitramine (BuNENA) is a high-energy plasticizer with high plasticizing ability, low sensitivity, and high energy. It has broad application prospects in HTPE propellants. Nevertheless, as an energetic plasticizer, it requires treatment to reduce its sensitivity. To this end, the passivation process for BuNENA was simulated using a mixing model analogous to nucleate boiling. This method involves tracking the formation and movement of bubbles using a Lagrange frame, and the bubbles themselves are modeled as rigid spheres subject to buoyancy and viscous forces. A variational multiscale (VMS)-based Euler framework was employed to simulate the fluid surrounding the bubble. The movement process of the bubbles was analyzed, and it was found that the amount of bubbles and the movement speed were higher at high temperatures and in a high vacuum, and the passivation effect on BuNENA was better. At a pressure of 40 mbar and a temperature of 50 °C, BuNENA demonstrated an 89% water removal rate. A comparison of the experimental results with the simulation results revealed slight discrepancies between them. A meticulous analysis of the passivation process for BuNENA is rendered possible by integrating experimental and simulation methodologies, a feat that has immense implications for the realm of composite solid propellant passivation. Full article
(This article belongs to the Section Polymer Physics and Theory)
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23 pages, 7882 KB  
Article
Deep-Neural-Networks-Based Data-Driven Methods for Characterizing the Mechanical Behavior of Hydroxyl-Terminated Polyether Propellants
by Ruohan Han, Xiaolong Fu, Bei Qu, La Shi and Yuhang Liu
Polymers 2025, 17(5), 660; https://doi.org/10.3390/polym17050660 - 28 Feb 2025
Cited by 3 | Viewed by 1791
Abstract
Hydroxyl-terminated polyether (HTPE) propellants are attractive in the weapons materials and equipment industry for their insensitive properties. Storage, combustion, and explosion of solid propellants are affected by their mechanical properties, so accurate mechanical modeling is vital. In this study, deep neural networks are [...] Read more.
Hydroxyl-terminated polyether (HTPE) propellants are attractive in the weapons materials and equipment industry for their insensitive properties. Storage, combustion, and explosion of solid propellants are affected by their mechanical properties, so accurate mechanical modeling is vital. In this study, deep neural networks are applied to model composite solid-propellant mechanical behavior for the first time. A data-driven framework incorporating a novel training–testing splitting strategy is proposed. By building Neural Networks (FFNNs), Kolmogorov–Arnold Networks (KANs) and Long Short-Term Memory (LSTM) networks and optimizing the model framework and parameters using a Bayesian optimization algorithm, the results show that the LSTM model predicts the stress–strain curve of HTPE propellant with an RMSE of 0.053 MPa, which is 62.7% and 48.5% higher than the FFNNs and the KANs, respectively. The R2 values of the LSTM model for the testing set exceed 0.99, which can effectively capture the effects of tensile rate and temperature changes on tensile strength, and accurately predict the yield point and the slope change of the stress–strain curve. Using the interpretable Shapley Additive Explanations (SHAP) method, fine-grained ammonium perchlorate (AP) can increase its tensile strength, and plasticizers can increase their elongation at break; this method provides an effective approach for HTPE propellant formulation. Full article
(This article belongs to the Section Polymer Composites and Nanocomposites)
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25 pages, 10927 KB  
Article
Interaction Mechanism of Composite Propellant Components under Heating Conditions
by Jiahao Liang, Jianxin Nie, Haijun Zhang, Xueyong Guo, Shi Yan and Ming Han
Polymers 2023, 15(11), 2485; https://doi.org/10.3390/polym15112485 - 28 May 2023
Cited by 18 | Viewed by 3597
Abstract
To examine the interactions between two binder systems—hydroxyl-terminated polybutadiene (HTPB) and hydroxyl-terminated block copolyether prepolymer (HTPE)—as well as between these binders and ammonium perchlorate (AP) at various temperatures for their susceptibility to varying degrees of thermal damage treatment, the thermal characteristics and combustion [...] Read more.
To examine the interactions between two binder systems—hydroxyl-terminated polybutadiene (HTPB) and hydroxyl-terminated block copolyether prepolymer (HTPE)—as well as between these binders and ammonium perchlorate (AP) at various temperatures for their susceptibility to varying degrees of thermal damage treatment, the thermal characteristics and combustion interactions of the HTPB and HTPE binder systems, HTPB/AP and HTPE/AP mixtures, and HTPB/AP/Al and HTPE/AP/Al propellants were studied. The results showed that the first and second weight loss decomposition peak temperatures of the HTPB binder were, respectively, 85.34 and 55.74 °C higher than the HTPE binder. The HTPE binder decomposed more easily than the HTPB binder. The microstructure showed that the HTPB binder became brittle and cracked when heated, while the HTPE binder liquefied when heated. The combustion characteristic index, S, and the difference between calculated and experimental mass damage, ΔW, indicated that the components interacted. The original S index of the HTPB/AP mixture was 3.34 × 10−8; S first decreased and then increased to 4.24 × 10−8 with the sampling temperature. Its combustion was initially mild, then intensified. The original S index of the HTPE/AP mixture was 3.78 × 10−8; S increased and then decreased to 2.78 × 10−8 with the increasing sampling temperature. Its combustion was initially rapid, then slowed. Under high-temperature conditions, the HTPB/AP/Al propellants combusted more intensely than the HTPE/AP/Al propellants, and its components interacted more strongly. A heated HTPE/AP mixture acted as a barrier, reducing the responsiveness of solid propellants. Full article
(This article belongs to the Special Issue Polymer-Based Flexible Materials)
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20 pages, 8795 KB  
Article
Molecular Dynamic Simulations and Experiments Study on the Mechanical Properties of HTPE/PEG Interpenetrating Polymer Network (IPN) Binders
by La Shi, Xiaolong Fu, Yang Li, Shuxin Wu, Saiqin Meng and Jiangning Wang
Nanomaterials 2023, 13(2), 268; https://doi.org/10.3390/nano13020268 - 8 Jan 2023
Cited by 17 | Viewed by 3919
Abstract
The mechanical properties of HTPE/PEG interpenetrating polymer network (IPN) binders were systemically studied with molecular dynamics (MDs) simulations and experiments. In this study, an algorithm was used to construct the crosslinking interpenetrating polymer network models and then the mechanical behaviors of Hydroxyl-terminated polyethylene [...] Read more.
The mechanical properties of HTPE/PEG interpenetrating polymer network (IPN) binders were systemically studied with molecular dynamics (MDs) simulations and experiments. In this study, an algorithm was used to construct the crosslinking interpenetrating polymer network models and then the mechanical behaviors of Hydroxyl-terminated polyethylene glycol-tetrahydrofuran co-polyether/poly ethylene glycol (HTPE/PEG) IPN models were analyzed at a molecular scale. Firstly, glass transition temperatures (Tg), mean square displacement (MSD) and mechanical properties of IPN crosslinked model simulations showed that better thermomechanical parameters appeared at low temperatures, which were in good agreement with the experimental methods, including dynamic mechanical analysis and uniaxial tensile. Then bond-length distribution was performed to verify the crosslinked structures between prepolymers and curing agents. FTIR-ATR spectra analysis of four IPN binder specimens also gave a convictive result to the special interpenetrating polymer network of polyether polyurethane binders. Cohesive energy density and friction-free volume explained how the micro-structures of IPN crosslinked models and the force of inter-molecule chains affected the mechanical behaviors of the HTPE/PEG polyurethane matrix. Lastly, the morphology of IPN binder specimen tensile fracture indicated the mechanism at different temperatures. These studies were helpful in understanding the mechanical properties of HTPE/PEG interpenetrating polymer network binders and provide molecular insight into mechanisms of mechanical behaviors, which would guide the property improvement of HTPE propellant. Full article
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18 pages, 8558 KB  
Article
Molecular Dynamic Simulations and Experiments Study on the Mechanical Properties of HTPE Binders
by La Shi, Xiaolong Fu, Yang Li, Shuxin Wu, Saiqin Meng and Jiangning Wang
Polymers 2022, 14(24), 5491; https://doi.org/10.3390/polym14245491 - 15 Dec 2022
Cited by 15 | Viewed by 3135
Abstract
The mechanical properties of HTPE binders have been systemically studied through combining the microstructure molecular simulations with macroscopic experiments. In this study, the crosslinking structures of HTPE binders were established by a computational procedure. Based on the optimized crosslinking models, the mechanical properties [...] Read more.
The mechanical properties of HTPE binders have been systemically studied through combining the microstructure molecular simulations with macroscopic experiments. In this study, the crosslinking structures of HTPE binders were established by a computational procedure. Based on the optimized crosslinking models, the mechanical properties and the glass transition temperatures (Tg) of HTPE/N-100, HTPE/HDI, HTPE/TDI, and HTPE/IPDI binder systems were simulated; specifically, the Tg were 245.758 K, 244.573 K, 254.877 K, and 240.588 K, respectively. Then the bond-length distributions, conformation properties, cohesive energy densities, and fraction free volume were investigated to analyze how the microstructures of the crosslinking models influenced the mechanical properties of HTPE binders. Simultaneously, FTIR-ATR spectra analysis of HTPE binders proved that the special peaks, such as -NH and -NCO, could be seen in the crosslinking polyurethane structures synthesized between prepolymers and curing agents. The dynamic mechanical analysis was carried out, and it found that the Tg of HTPE/N-100, HTPE/HDI, HTPE/TDI, and HTPE/IPDI binder systems were −68.18 °C, −68.63 °C, −65.67 °C, and −68.66 °C, respectively. In addition, the uniaxial tension verified that both the ultimate stress and Young’s modulus of HTPE binder systems declined with the rising temperatures, while the strains at break presented a fluctuant variation. When it was closer to glass temperatures, especially −40 °C, the mechanical properties of HTPE binders were more prominent. The morphology of the fractured surface revealed that the failure modes of HTPE binders were mainly intermolecular slipping and molecular chain breakage. In a word, the experimental results were prospectively satisfied using the simulations, which confirmed the accuracy of the crosslinking models between prepolymers and curing agents. This study could provide a scientific option for the HTPE binder systems and guide the design of polyurethanes for composite solid propellant applications. Full article
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17 pages, 5971 KB  
Article
Comparative Study on Thermal Response Mechanism of Two Binders during Slow Cook-Off
by Xinzhou Wu, Jun Li, Hui Ren and Qingjie Jiao
Polymers 2022, 14(17), 3699; https://doi.org/10.3390/polym14173699 - 5 Sep 2022
Cited by 11 | Viewed by 4228
Abstract
The HTPE (hydroxyl-terminated polyether) propellant had a lower ignition temperature (150 °C vs. 240 °C) than the HTPB (hydroxy-terminated polybutadiene) propellant in the slow cook-off test. The reactions of the two propellants were combustion and explosion, respectively. A series of experiments including the [...] Read more.
The HTPE (hydroxyl-terminated polyether) propellant had a lower ignition temperature (150 °C vs. 240 °C) than the HTPB (hydroxy-terminated polybutadiene) propellant in the slow cook-off test. The reactions of the two propellants were combustion and explosion, respectively. A series of experiments including the changes of colors and the intensity of infrared characteristic peaks were designed to characterize the differences in the thermal response mechanisms of the HTPB and HTPE binder systems. As a solid phase filler to accidental ignition, the weight loss and microscopic morphology of AP (30~230 °C) were observed by TG and SEM. The defects of the propellant caused by the cook-off were quantitatively analyzed by the box counting method. Above 120 °C, the HTPE propellant began to melt and disperse in the holes, filling the cracks, which generated during the decomposition of AP at a low temperature. Melting products were called the “high-temperature self-repair body”. A series of analyses proved that the different thermal responses of the two binders were the main cause of the slow cook-off results, which were likewise verified in the propellant mechanical properties and gel fraction test. From the microscopic point of view, the mechanism of HTPE’s slow cook-off performance superior to HTPB was revealed in this article. Full article
(This article belongs to the Special Issue Durability and Degradation of Polymeric Materials)
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14 pages, 6568 KB  
Article
Influence of Fluorinated Polyurethane Binder on the Agglomeration Behaviors of Aluminized Propellants
by Chen Shen, Shi Yan, Yapeng Ou and Qingjie Jiao
Polymers 2022, 14(6), 1124; https://doi.org/10.3390/polym14061124 - 11 Mar 2022
Cited by 18 | Viewed by 3801
Abstract
In this study, fluorinated polyurethane (FPU) was prepared from dialcohol-terminated perfluoropolyether as a soft segment; isophorone diisocyanate (IPDI) as a curing agent; 1,2,4-butanetriol (BT) as a crosslinker; and 1,4-butanediol (BDO) as a chain extender. Fourier transform infrared spectroscopy (FTIR) and 1H NMR [...] Read more.
In this study, fluorinated polyurethane (FPU) was prepared from dialcohol-terminated perfluoropolyether as a soft segment; isophorone diisocyanate (IPDI) as a curing agent; 1,2,4-butanetriol (BT) as a crosslinker; and 1,4-butanediol (BDO) as a chain extender. Fourier transform infrared spectroscopy (FTIR) and 1H NMR were used to characterize the structure of the FPU. The mechanical properties of the FPUs with different BDO and BT contents were also measured. The tensile strength and breaking elongation of the optimized FPU formula were 3.7 MPa and 412%, respectively. To find out the action mechanism of FPU on Al, FPU/Al was prepared by adding Al directly to FPU. The thermal decomposition of the FPU and FPU/Al was studied and compared by simultaneous differential scanning calorimetry-thermogravimetry-mass spectrometry (DSC-TG-MS). It was found that FPU can enhance the oxidation of Al by altering the oxide-shell properties. The combustion performance of the FPU propellant, compared with the corresponding hydroxyl-terminated polyether (HTPE)-based polyurethane (HPU) propellant, was recorded by a high-speed video camera. The FPU propellants were found to produce smaller agglomerates due to the generation of AlF3 in the combustion process. These findings show that FPU may be a useful binder for tuning the agglomeration and reducing two-phase flow losses of aluminized propellants. Full article
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12 pages, 2370 KB  
Article
Preparation of Bi2O3/Al Core-Shell Energetic Composite by Two-Step Ball Milling Method and Its Application in Solid Propellant
by Min Xia, Qifa Yao, Huilian Yang, Tao Guo, Xiuxin Du, Yanjie Zhang, Guoping Li and Yunjun Luo
Materials 2019, 12(11), 1879; https://doi.org/10.3390/ma12111879 - 11 Jun 2019
Cited by 18 | Viewed by 4794
Abstract
In this article, Bi2O3/Al high-density energetic composites with a core-shell structure were prepared by a two-step ball milling method using a common planetary ball milling instrument, and their morphology, structure, and properties were characterized in detail. Through a reasonable [...] Read more.
In this article, Bi2O3/Al high-density energetic composites with a core-shell structure were prepared by a two-step ball milling method using a common planetary ball milling instrument, and their morphology, structure, and properties were characterized in detail. Through a reasonable ratio design and optimization of the ball milling conditions, the density of the Bi2O3/Al core-shell energetic composite is increased by about 11.3% compared to that of the physical mixed sample under the same conditions. The DSC (Differential Scanning Calorimetry) test also showed that the exothermic quantity of the thermite reaction of the energetic composite reached 2112.21 J/g, which is very close to the theoretical exothermic quantity. The effect of Bi2O3/Al core-shell energetic composite on the energy performance of insensitive HTPE propellant was further studied. The theoretical calculation results showed that replacing the partial Al with Bi2O3/Al core-shell energetic composite can make the density of propellant reach 2.056 g/cm3, and the density specific impulse reach 502.3 s·g/cm3, which is significantly higher than the density and density specific impulse of the conventional composite solid propellant. The thermal test showed that the explosive heat of the HTPE (Hydroxyl terminated polyether) propellant also increased with the increase of the content of Bi2O3/Al core-shell energetic composite. Full article
(This article belongs to the Section Energy Materials)
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