A molecular dynamics study on oxidation of aluminum hydride (AlH3)/hydroxyl-terminated polybutadiene (HTPB) solid fuel

HTPB-Polyurethane: A Versatile Fuel Binder for Composite Solid Propellant

Effects of Aluminum Incorporation in Tobermorite Structure on Chloride Diffusion: A Molecular Dynamics Simulation Study

In this paper, the effects of different aluminum to silicon ratios in silicate chains of calcium silicate hydrates (C-S-H) are evaluated on the diffusion coefficient of chloride ions by molecular dynamics method. Tobermorite is a crystalline phase that is used for studying C-S-H properties in nano scale, because of its analogous chemical composition to C-S-H. Aluminum incorporation in C-S-H and...

Initial oxidation stages of hydrogen- and styrene-terminated Si(100) surfaces: A molecular dynamics study

a r t i c l e i n f o We have studied the initial oxidation of Hand styrene-terminated Si(100)-2 × 1 films in O 2 atmosphere at 500 K using molecular dynamics (MD) simulations based on a reactive force field. Our simulations show that for both surface terminations the primary reactions observed are the dissociation of the oxygen molecules and the simultaneous insertion of atomic oxygen in the S...

Kinetic Study and Thermal Decomposition Behavior of Magnesium-Sodium Nitrate Based on Hydroxyl-Terminated Polybutadiene

This paper has been utilizing the simultaneous ThermoGravimetric analysis and Differential Scanning Calorimetry (TG–DSC) to investigate the thermal decomposition of magnesium-sodium nitrate pyrotechnic composition based HTPB resin. The thermal behaviors of different samples with various fuel-oxidizer ratio contents were determined. Decomposition kinetic was investigated by evaluating the in...

Determination of the Rheological Properties of Hydroxyl Terminated Polybutadiene (HTPB) Mixtures With Energetic Materials and Presenting Empricial Models

Rheological Properties Such as Viscosity (η), Shear Stress (τ), and Torque (M) of the mixtures of (HTPB) with Octagon (HMX), Hexogen (RDX), and 2, 6 Diamino-4-Phenyl-1, 3, 5 Triazine (DAPTA) mixtures were measured. The experimental design was arranged for three factors at two levels (High and low levels). Temperature of the mixture (°C), Speed of the stirrer (rpm), Mixing Time (minutes) have be...