The Effect of Short Range Attractions on Sequence Defined Polyelectrolyte Coacervation

Complex coacervation is the liquid-liquid phase separation of polyelectrolytes in aqueous salt solution into a polymer-dense phase, the coacervate, and a polymer-dilute phase, the supernatant. Previous work using Monte Carlo simulations demonstrated that changing the sequence of charged and neutral monomers on polyelectrolytes while keeping the charge fraction constant alters the extent of phase separation. However, previous data does not account for the hydrophobicity of different neutral monomers. To understand the coacervation of polymers with various chemical structures, van der Waals interactions at various strengths are included in Monte Carlo simulations to show hydrophobic effects in the system. Comparisons are made to existing Monte Carlo simulations and experimental data. Understanding these patterning effects will enhance the knowledge of biomacromolecule phase separation, as well as expand the understanding of sequence-dependent polymer physics.