Screening effects on structure and diffusion in confined charged colloids.
Using molecular dynamics computer simulations we investigate structural and dynamic (diffusion) properties of charged colloidal suspension confined to narrow slit pores with structureless, uncharged walls. The system is modeled on an effective level involving only the macroions, which interact via a combination of a soft-sphere and a screened Coulomb potential. The aim of our study is to identify the role of the range of the macroion-macroion interaction controlled by the inverse Debye screening length, kappa. We also compare to bulk properties at the same chemical potential as determined in parallel grand canonical Monte Carlo simulations. Our results reveal a significant influence of the interaction range which competes, however, with the influence of density. At liquidlike densities a decrease of range yields a decreasing mobility (and a corresponding enhancement of local structure) in the bulk system, whereas the reverse effect occurs in narrow slits with thickness of a few particle diameter. These differences can be traced back to the confinement-induced, and kappa-dependent, reduction of overall density compared to the bulk reservoir. We also show that an increase of kappa softens the oscillations in the normal pressure as function of the wall separation, which is consistent with experimental observations concerning the influence of addition of salt.
Kittner
Madeleine
M
Stranski-Laboratorium für Physikalische und Theoretische Chemie, Sekretariat C7, Technische Universität Berlin, Strasse des 17 Juni 115, D-10623 Berlin, Germany.
Klapp
Sabine H L
SH
D000465:Algorithms; D003102:Colloids / Q000737:chemistry*; D003198:Computer Simulation; D004058:Diffusion; D004563:Electrochemistry / Q000379:methods*; D008956:Models, Chemical; D008958:Models, Molecular; D055672:Static Electricity
D003102:Colloids