Monte Carlo studies on potentiometric titration of (carboxymethyl)cellulose.

Monte Carlo simulations of the potentiometric titration are carried out for (carboxymethyl)cellulose in aqueous salt solutions by a previously developed method. A nearly elliptic cylinder with spherical ionizable groups is assumed as model of (carboxymethyl)cellulose molecule. The spherical charges with a hard core potential are adopted as mobile hydrated ions. A fairly satisfactory agreement of the titration curves with the experimental data is achieved by using reasonable molecular dimensions. Dependence of the calculated titration profiles on the molecular model and the characteristics of the system are discussed.