Abstract
AbstractMolecular dynamics simulations are performed for neutral or charged polyamidoamine dendrimers interacting through adequate numerical potentials over a range of relatively low solution concentrations similar to those used in most scattering experiments. According to the results, the neutral dendrimers show a near to linear variation of the inverse of the structure functions at zero scattering angle variable, 1/S(q = 0). However, the charged dendrimers show a remarkable departure from the linear behavior in the same range of concentrations. Therefore, it is concluded that the charged dendrimer systems do not behave as ideal dilute solutions in this concentration range. The behavior is similar for all the explored dendrimer generations and it is clearly related with the long‐range electrostatic repulsions between charged dendrimers. The maximum of the structure function is also analyzed as a function of concentration and its location is compared with existing experimental data.
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