Restricted primitive model for electrolyte solutions in slit-like pores with grafted chains: microscopic structure, thermodynamics of adsorption, and electric properties from a density functional approach.

摘要: We apply a density functional theory to describe properties of restricted primitive model an ionic fluid in slit-like pores. The pore walls are modified by grafted chains. chains built uncharged or charged segments. study the influence modification on structure, adsorption, ion selectivity, and electric double layer capacitance under confinement. brush segments acts as collection obstacles vicinity. Consequently, separation charges requires higher voltages, comparison models without brushes. At high grafting densities formation crowding-type structure is inhibited. becomes more complex various aspects, if brushes In particular, evolution height with bulk charge depends length blocks spheres well distribution species along also investigated how dependence electrostatic potential (or walls) changes density, chain length, chain, and, finally, width. shape vs. voltage from camel-like bell-like shape, low moderate high. If appropriately chosen, it possible alter this curve hump single changing density. Moreover, narrow pores one can observe even three humps for certain set parameters describing brush. This behavior illustrates strong be, particularly fluids