Molecular modeling of temperature dependence of solubility parameters for amorphous polymers

A molecular modeling strategy is proposed to describe the temperature (T) dependence of solubility parameter (δ) for the amorphous polymers which exhibit glass-rubber transition behavior. The commercial forcefield “COMPASS” is used to support the atomistic simulations of the polymer. The temperature dependence behavior of δ for the polymer is modeled by running molecular dynamics (MD) simulation at temperatures ranging from 250 up to 650 K. Comparing the MD predicted δ value at 298 K and the glass transition temperature (Tg) of the polymer determined from δ–T curve with the experimental value confirm the accuracy of our method. The MD modeled relationship between δ and T agrees well with the previous theoretical works. We also observe the specific volume (v), cohesive energy (Ucoh), cohesive energy density (ECED) and δ shows a similar temperature dependence characteristics and a drastic change around the Tg. Meanwhile, the applications of δ and its temperature dependence property are addressed and discussed

Shock behaviour of a phenolic resin

Phenolic resins are used in many aspects of everyday life, e.g. as the matrix material for carbon fibre laminates used in the aerospace industry. Consequently detailed knowledge of this material, especially while under shock loading, is extremely useful for the design of components that could be subjected to impact during their lifespan. The shock Hugoniot equation of state for phenolic resin (Durite SC-1008), with initial density of 1.18 gcm −3 have been determined using the plate-impact technique with in situ manganin stress gauges. The Hugoniot equation in the shock velocity-particle velocity plane was found to be non- linear in nature with the following equation: Us = 2.14 + 3.79up - 1.68up2. Further, the Hugoniot in the pressure-volume plane was observed to largely follow the hydrostatic curve. Lateral gauge measurements were also obtained. An ANSYS Autodyn TM 2D model was used to investigate the lateral stress behaviour of the SC-1008. A comparison of the Hugoniot elastic limit calculated from the shear strength and measured sound speeds gave reasonable agreement with a value of 0.66 ± 0.35 GPa obtai