Modeling the formation of ordered nano-assemblies comprised by dendrimers and linear polyelectrolytes: The role of Coulombic interactions

摘要: Models of mixtures peripherally charged dendrimers with oppositely linear polyelectrolytes in the presence explicit solvent are studied by means molecular dynamics simulations. Under influence varying strength electrostatic interactions, these systems appear to form dynamically arrested film-like interconnected structures polymer-rich phase. Acting like a pseudo-thermodynamic inverse temperature, increase Coulombic interactions drive polymeric constituents mixture gradual dynamic freezing-in. The timescale average density fluctuations formed complexes initially increases weak regime reaching finite limit as grow. Although models overall electrically neutral, during this process dendrimer/linear develop polar character an excess charge mainly close periphery dendrimers. morphological characteristics resulted pattern found depend on size polymer chains account distinct conformational features assumed complexed different length. In addition, length chain appears affect counterions, thus affecting ionic transport properties system. It appears, therefore, that together parameters which particularly responsive, offering possibility for better control structure and electric soft-colloidal systems.