Field-theoretic simulations of polyelectrolyte complexation

The polyelectrolyte complexation phenomena has been investigated using field-theoretic simulation (FTS) methods based on the introduction of auxiliary fields. FTS involves exact Hamiltonians and accounts for arbitrarily large fluctuations and strong inhomogeneities. They are convenient for treating the long-range Coulomb interaction, which is replaced by a short-ranged square-gradient operator in the auxiliary field representation. The polyelectrolytes are modeled as coarse-grained chains of charged beads and the counterions are taken to be point particles embedded in an implicit solvent with uniform dielectric properties to conduct such simulations. Statistical field theory models of polymers can also serve as the basis for field-theoretic simulation. This field-based description is particularly useful for dense polymer systems, such as concentrated solutions and metals, where there is strong overlap among polymers.