Comparing water-mediated hydrogen-bonding in different polyelectrolyte complexes

Author:

Batys Piotr1234ORCID,Kivistö Samu56789,Lalwani Suvesh Manoj10111213,Lutkenhaus Jodie L.1011121314ORCID,Sammalkorpi Maria56789ORCID

Affiliation:

1. Jerzy Haber Institute of Catalysis and Surface Chemistry

2. Polish Academy of Sciences

3. PL-30239 Krakow

4. Poland

5. Department of Chemistry and Materials Science

6. School of Chemical Engineering

7. Aalto University

8. FI-00076 Aalto

9. Finland

10. Artie McFerrin Department of Chemical Engineering

11. Texas A&M University

12. College Station

13. USA

14. Department of Materials Science and Engineering

Abstract

All-atom molecular dynamics simulations are used to investigate the polyelectrolyte-specific influence of hydration and temperature on water diffusion in hydrated polyelectrolyte complexes (PECs).

Funder

Suomen Akatemia

National Science Foundation

Narodowe Centrum Nauki

Publisher

Royal Society of Chemistry (RSC)

Subject

Condensed Matter Physics,General Chemistry

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