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In this work we illustrate our novel quantitative simulation approach fordense amorphous polymer systems, as discussed in our previous work[Kulkarni etal., A Novel Approach for Lattice Simulations of Polymer Chains in DenseAmorphous Polymer Systems: Method Development and Validation with 2-D Lattices,arXiV, 2008] in applications involving large lattice sizes and high energeticbias. We first demonstrate how the topology of the microstate ensemble in 2-Dlattices presents a serious challenge for the collection of accurate andreliable quantitative results (i.e., with simultaneous determination of errorbars) for large lattices. This necessitates a further enhancement of our MonteCarlo simulation scheme to sample effectively a meaningful 2-D latticeconfigurational subspace. Two techniques were investigated: simulated annealingand parallel tempering, to avoid trapping near a local free energy minimum insimulations at high energetic bias. Extensive results of the prediction ofvarious chain conformation statistics and thermodynamic quantities, in thethermodynamic limit (i.e. infinite lateral sizes) are presented.

Quantitative Lattice Simulations of the Dense Amorphous Phase in Semicrystalline Polymers : Size and Energy Effects in 2-D Lattices