Structural and Dynamical Characteristics of Polyelectrolyte Dendrimer Solutions Revealed by Neutron Scattering and Atomistic Simulation

Solutions of polyelectrolyte dendrimers were investigated using small angle neutron scattering (SANS) and dynamical measurements including quasi-elastic neutron scattering, neutron spin-echo and high resolution NMR. The goal of the experiments was to understand the structural and dynamical responsiveness polymer toward the variation of molecular charge. Experimental spatial correlation functions and temporal correlation functions such as intermediate scattering functions and the dynamic structure factor were evaluated quantitatively. Complementary atomistic simulations were developed for providing the microscopic interpretation of the scattering measurements and for investigating the material characteristics that are not accessible experimentally. Based on this synergistic approach, we attempt to provide a detailed understanding of the microscopic mechanisms underlying the observed electrostatic responsive properties in these very important classes of materials.