Titration curve of a charged polymer in the canonical ensemble

In this study, we have investigated the titration curve of a polyelectrolyte with various configurations of functional groups using a recently proposed method that allows the titration of charged surfaces in the canonical ensemble. Our findings reveal a direct influence of the sequence of functional groups on the titration curve. Specifically, we observed that in alternating sequences, the pK_aof the polymer increases. This observation can be attributed to the direct electrostatic interactions between monomers, shedding light on the intricate interplay between molecular structure and the titration behavior of polyelectrolytes.