We study the correlation length of the charge–charge pair correlations in concentrated
electrolyte solutions by means of all-atom, explicit-solvent molecular dynamics simulations …

The ability of polyelectrolytes to condense into a liquidlike, polyelectrolyte-rich phase out of
a dilute supernatant phase through complex coacervation has led to fascinating …

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 …

This article reviews the state of the art of the studies on charge regulation (CR) effects in
flexible weak polyelectrolytes (FWPE). The characteristic of FWPE is the strong coupling of …

We study the effects of charge-regulated acid/base equilibrium on the swelling of
polyelectrolyte gels by considering a combination of the Poisson–Boltzmann theory and a …

Ion transport in porous media is present in a wealth of technologies, eg, energy storage
devices such as batteries and supercapacitors, and environmental technologies such as …

Peptides containing amino acids with ionisable side chains represent a typical example of
weak ampholytes, that is, molecules with multiple titratable acid and base groups, which …

Ionizable residues can release and take up protons and this has an influence on protein
structure and function. The extent of protonation is linked to the overall pH of the solution …

In this article, I summarize my theoretical developments in the statistical field theory of salt
solutions of zwitterionic and multipolar molecules. Based on the Hubbard–Stratonovich …

We present a simulation method that allows us to calculate the titration curves for systems
undergoing protonation/deprotonation reactions—such as charged colloidal suspensions …