Modeling of Polymer Crystals
Polymer crystals have different properties than simple atomic crystals. They possess high density and long range order. They do not possess isotropy, and therefore are anisotopic in nature, which means they show anisotropy and limited conformation space. However, just as atomic crystals have lattices, polymer crystals also exhibit a periodic structure called a lattice, which describes the repetition of the unit cells in the space. The simulation of polymer crystals is complex and not taken from only one state but from solid-state and fluid-state physics as well. Polymer crystals have unit cells that consist of tens of atoms, while the molecules themselves comprise 104 To 106 atoms.