Molecular Dynamic Simulations and Experiments Study on the Mechanical Properties of HTPE Binders

Shi, La; Fu, Xiaolong; Li, Yang; Wu, Shuxin; Meng, Saiqin

doi:10.3390/polym14245491

Cited by 7 publications

(5 citation statements)

References 42 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…From Figure 5 , T g from the S-N, S-H, S-T and S-I binder models were 226.59 K (−46.56 °C), 218.28 K (−54.87 °C), 220.13 K (−53.02 °C) and 227.78 K (−45.37 °C), respectively. All the simulations of T g on the penetrating polymer structure models were lower than those of the pure HTPE and the pure PEG curing agent crosslinked models in our previous work [ 28 , 44 ]. The T g of the S-H binder model was the lowest, and S-I showed the highest, which was due to the difference in curing agents.…”

Section: Resultsmentioning

confidence: 66%

Molecular Dynamic Simulations and Experiments Study on the Mechanical Properties of HTPE/PEG Interpenetrating Polymer Network (IPN) Binders

Shi¹,

Fu²,

Li³

et al. 2023

Nanomaterials

Self Cite

View full text Add to dashboard Cite

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.

show abstract

Section: Resultsmentioning

confidence: 66%

Molecular Dynamic Simulations and Experiments Study on the Mechanical Properties of HTPE/PEG Interpenetrating Polymer Network (IPN) Binders

Shi¹,

Fu²,

Li³

et al. 2023

Nanomaterials

Self Cite

View full text Add to dashboard Cite

show abstract

“…Based on the experimental glass transition temperature, T g can be obtained by the intersection of two linear lines that are fitted to the specific density versus temperature data at the low- and high-temperature ranges. − Zhai et al calculated the block length of BAMO-THF random copolyether (50:50) ( L BAMO = 1.75, l THF = 1.91, T g = −60 °C). The T g value of PBAMO is −39 °C. , According to the T g value of BAMO-THF random copolyether (−60 °C, block length in range of 1–2), the inflection points of the temperature range between 175 and 225 K are used to obtain the T g values of the 1-block and 2-block chains, which are found to be −62.42 and −50.76 °C, respectively.…”

Section: Resultsmentioning

confidence: 99%

Click Chemistry for Linker-Free BAMO-Based Energetic Sequence-Controlled Copolymers

Li,

Zheng,

Yin

et al. 2023

ACS Appl. Polym. Mater.

View full text Add to dashboard Cite

In the field of energetic materials (EMs), soft chains are copolymerized with energetic polymers to improve flexibility. However, this often makes it difficult to achieve simultaneous optimization of the energy level and flexibility due to the random sequence. In this study, a simple approach is presented to develop energetic sequencecontrolled polymers (ESCPs), alternate copolymers poly(3,3-bis(azidomethyl)oxetaneglycol) (P(BAMO-alt-EG)) and poly(3,3-bis(azidomethyl)oxetane-tetrahydrofuran) (P(BAMO-alt-THF)), through click reactions. This approach provides the potential to design and control mechanical and thermal properties in propellant binders by introducing various segments and regulating the sequence structure. These polymers display excellent thermal stability and demonstrate that regulated shorter segmental length promoted better flexibility and less residual carbon content without compromising the energy level of the propellant. The obtained kinetic parameters prove that P(BAMO-alt-EG) released higher heat and accelerated the thermolysis process compared to P(BAMO-alt-THF). These results demonstrate the potential of highly alternating ESCPs as a potential energetic propellant binder.

show abstract

“…However, a new type of insensitive solid propellant has been developed that uses hydroxyl-terminated block copolyether prepolymer (HTPE) as a binder. It has good desensitisation performance, energy characteristics, and application performance [7]. Owing to its significant insensitivity under hazardous conditions such as slow heating, HTPE propellant is intended to replace HTPB propellant [8][9][10][11][12].…”

Section: Introductionmentioning

confidence: 99%

Interaction Mechanism of Composite Propellant Components under Heating Conditions

et al. 2023

View full text Add to dashboard Cite

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.

show abstract

Molecular Dynamic Simulations and Experiments Study on the Mechanical Properties of HTPE Binders

Cited by 7 publications

References 42 publications

Molecular Dynamic Simulations and Experiments Study on the Mechanical Properties of HTPE/PEG Interpenetrating Polymer Network (IPN) Binders

Molecular Dynamic Simulations and Experiments Study on the Mechanical Properties of HTPE/PEG Interpenetrating Polymer Network (IPN) Binders

Click Chemistry for Linker-Free BAMO-Based Energetic Sequence-Controlled Copolymers

Interaction Mechanism of Composite Propellant Components under Heating Conditions

Contact Info

Product

Resources

About