Finite-length effects on the coil-globule transition of a strongly charged polyelectrolyte chain in a salt-free solvent

The nature of coil-globule transition and scaling behavior of a strongly charged polyelectrolyte chain in a solution system with explicit neutralizing counterions and solvent molecules are studied using replica-exchange Monte Carlo simulations, focusing on the effects of finite chain length. The results reveal that at the thermodynamic limit of infinitely long chain length, the coil-globule transition may remain first order. Phase transition …