Main-Side Chain Hydrogen Bonding-Based Self-Healable Polyurethane with Highly Stretchable, Excellent Mechanical Properties for Self-Healing Acid-Base Resistant Coating.

Developing an autonomous self-healing polyurethane (PU) elastomer with excellent mechanical properties and high ductility has attracted increasing attention. Nowadays, the synthesis of elastomers with excellent mechanical properties and rapid self-healing at room temperature faces a huge challenge. Herein, This work reports a new supramolecular PU with excellent mechanical properties and rapid self-healing at room temperature through the introduction of T-type chain extender into the supramolecular polymer chain. The introduction of T-chain extender can be used to enhance the mechanical strength of PU, and the multiple hydrogen bonds on the side-chain provide theoretical support for the rapid self-healing ability of PU. Maximum stress of the synthesized PU can reach 3.4 ± 0.15 Mpa, and maximum elongation at break can reach 3200% ± 160%. Due to flexibility and re-constructability of side-chain hydrogen bonds, PU stress repair efficiency can reach 96.7%, and can be self-healing scratches rapidly and effectively at room temperature. The mechanical properties and self-healing properties of PU can be adjusted by the content of T-type chain extender. The PU is applied to the metal surface coating, which has excellent acid-base resistance, bond strength up to 2.9 ± 0.1 Mpa, and the ability to eliminate local damage on the coating surface quickly at room temperature.

Molecular dynamics study of the structures and properties of RDX/GAP propellant.

Molecular dynamics simulations have been performed to investigate well-known energetic material cyclotrimethylene trinitramine (RDX) crystal, glycidyl azide polymer (GAP) and RDX/GAP propellant. The results show that the binding energies on different crystalline surface of RDX change in the order of (0 1 0) > (1 0 0) > (0 0 1). The interactions between RDX and GAP have been analyzed by means of pair correlation functions. The mechanical properties of RDX/GAP propellant, i.e., elastic coefficients, modulus, Cauchy pressure, and Poisson's ratio, etc., have been obtained. It is found that mechanical properties are effectively improved by adding some amounts of GAP polymer, and the overall effect of GAP on three crystalline surfaces of RDX changes in the order of (1 0 0) > (0 1 0) > (0 0 1). The energetic properties of RDX/GAP propellant have also been calculated and the results show that compared with the pure RDX crystal, the standard theoretical specific impulse (I(sp)) of RDX/GAP propellant decrease, but they are still superior to those of double base propellant.