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

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 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.

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

“…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.…”

Recent Advances in Preparation and Structure of Polyurethane Porous Materials for Sound Absorbing Application

“…In fact, IPN is polymer alloys being made up of two or more interpenetrating polymers. [102][103][104] IPN can be divided into semi-IPN and fully formed IPN (Figure 10a). [105] The molecular chains entangle with each other by covalent bonds.…”

Preparation of a thermally conductive phase‐change coating with good anti‐corrosion

“…The purpose of this work is to prepare a kind of thermally conductive phase‐change coating with practical application prospect. The low mechanical properties makes PEG prone to wear and tear when used as a coating 38,39 . Yan et al used PVP to reduce the interfacial thermal resistance between WER and h‐BN, resulting in the preparation of a WER/PVP/h‐BN TIM 40 .…”

“…The low mechanical properties makes PEG prone to wear and tear when used as a coating. 38,39 Yan et al used PVP to reduce the interfacial thermal resistance between WER and h-BN, resulting in the preparation of a WER/PVP/h-BN TIM. 40 The experimental findings in this article demonstrate that PEG can also enhance the interface bonding state between WER and the filler.…”