A density functional theory for patchy colloids based on Wertheim's association theory: Beyond the single bonding condition

摘要

In the framework of Wertheimﾒs theory, we develop the first classical density functional theory forpatchy colloids where the patch can bond more than once. To test the theory we perform new MonteCarlo simulations for the model system of patchy colloids in a planar slit pore. The theory is shownto be in excellent agreement with simulation for the density profiles and bonding fractions. It is alsoshown that the theory obeys the wall contact rule by accurately predicting bulk pressures from thewall contact density.