We investigate chemically or physically crosslinked polymer gels that are useful in a broad range of military applications. We evaluate morphology and mechanical properties of polymer gel networks using particle-based and field theory methods. Using dissipative particle dynamics (DPD) we predict morphology of block copolymer blends in good agreement with atomic force microscopy.The mechanical properties of low molecular weight (MW) polymers can also be studied using DPD, however an improved method (DPD-mSRP) that prevents bond crossing has to be used for entangled chains of high MW polymer gels. The improved DPD method and the Kremer-Grest beads-spring model were used in simulations of tensile deformations for entangled copolymers and polymer gel networks at various strain rates. Dynamic density functional theory was also used to predict a phase diagram of copolymer gels in excellent agreement with TEM measurements.

Modeling polymer gels for defense applications

244th National Meeting (2012)

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