Dynamics of Complex Fluids Formed by Ionizable Polymers: From Reciprocal Space to Real Space and Back

ORAL · Invited

Abstract

The dynamics of complex fluids, particularly of soft matter formed by polymers that consist of segments with inherently different characteristics, span a broad range of coupled times and length scale motion from ns to macroscopic times, across length scale that varies from 0.1nm to macroscopic. This coupling presents a challenge to elucidating the dynamic processes that underlie the properties of these soft systems, driving our journey from reciprocal to real space and back. Using neutron techniques, including elastic and quasi elastic scattering , coupled with large scale atomistic and coarse grains molecular dynamics simulations we were able to attain insight into a long-standing puzzle of how very limited number of ionizable groups tethered to a polymer backbone arrest their macroscopic motion in different complex fluids. Results for the dynamics of polystyrene ionizable polymers based complex fluids, including melts, solutions, and micellar phases will be presented, as the complexity of the polymers is increased. Reciprocal space measurements of SANS, QENS and NSE for polystyrene sulfonate will be first introduces followed by measurements of complex fluids formed by co- polymers that contain a polystyrene sulfonate block. Moving to real space, results of large-scale molecular dynamics simulations of the same systems will be presented. In conclusion, we will showcase the dynamics derived from the computed complex fluids and illustrate their integration with the reciprocal findings obtained through neutron scattering techniques.

* DOE DE-SC0019284 ; DMR-1905407; MRI-1725573. This work was made possible in part by advanced computational resources deployed and maintained by Clemson Computing and Information Technology. This research used resources at the National Energy Research Scientific Computing Center (NERSC), a U.S. Department of Energy Office of Science User Facility operated under Contract No. DE-AC02-05CH11231. This work was performed, in part, through the Center for Integrated Nanotechnologies, a U.S. Department of Energy and Office of Basic Energy Sciences user facility., and SNS and HIFER DOE Facilities , at OakRodge National Laboratory.

Presenters

  • Dvora Perahia

    Clemson University, Department of Chemistry, Department of Physics, Clemson University, Department of Chemistry & Department of Physics ,Clemson University, Clemson, SC

Authors

  • Dvora Perahia

    Clemson University, Department of Chemistry, Department of Physics, Clemson University, Department of Chemistry & Department of Physics ,Clemson University, Clemson, SC