We present a theory that enables us to (i) calculate the effective surface charge of colloidal
particles and (ii) efficiently obtain titration curves for different salt concentrations. The theory …

The net charge of solvated entities, ranging from polyelectrolytes and biomolecules to
charged nanoparticles and membranes, depends on the local dissociation equilibrium of …

We propose a simulation method for Brownian dynamics of hard rods in one dimension for
arbitrary continuous external force fields. It is an event-driven procedure based on the …

We study the interaction between two charge regulating spherical macroions with dielectric
interior and dissociable surface groups immersed in a monovalent electrolyte solution. The …

We use a reactive Monte Carlo simulation method and the primitive model of electrolyte to
study acid–base equilibrium that controls charge regulation in colloidal systems. The …

We present a Monte Carlo approach for performing titration simulations in the canonical
ensemble. The standard constant pH (cpH) simulation methods are intrinsically grand …

In the present work, we study the equilibrium conformations of linear polyelectrolytes
tethered onto a spherical, oppositely charged core in equilibrium with an ionic reservoir of …

Constant pH (cpH) simulations are now a standard tool for investigating charge regulation in
coarse-grained models of polyelectrolytes and colloidal systems. Originally developed for …

In colloidal science and bioelectrostatics, the linear Poisson Boltzmann equation (LPBE) has
been used extensively for the calculation of potential and surface charge density. Its …

We present a theory which allows us to calculate the interaction potential between charge-
regulated metal nanoparticles inside an acid-electrolyte solution. The approach is based on …