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Related Concept Videos

Hydrogen Bonds00:26

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Hydrogen bonds are weak attractions between atoms that have formed other chemical bonds. One of these atoms is electronegative, like oxygen, and has a partial negative charge. The other is a hydrogen atom that has bonded with another electronegative atom and has a partial positive charge.
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Because hydrogen has very weak electronegativity when it binds with a strongly electronegative atom, such as oxygen or nitrogen, electrons in the bond are unequally shared....
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A hydrogen bond is formed when a weakly positive hydrogen atom already bonded to one electronegative atom (for example, the oxygen in the water molecule) is attracted to another electronegative atom from another polar molecule, such as water (H2O), hydrogen fluoride (HF), or ammonia (NH3). The huge electronegativity difference between the H atom (2.1) and the atom to which it is bonded (4.0 for an F atom, 3.5 for an O atom, or 3.0 for an N atom), combined with the very small size of an H atom...
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Updated: Jan 19, 2026

Hydrogen Bonds in Water
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Comparing water-mediated hydrogen-bonding in different polyelectrolyte complexes.

Piotr Batys1, Samu Kivistö, Suvesh Manoj Lalwani

  • 1Jerzy Haber Institute of Catalysis and Surface Chemistry, Polish Academy of Sciences, Niezapominajek 8, PL-30239 Krakow, Poland. ncbatys@cyf-kr.edu.pl.

Soft Matter
|September 17, 2019
PubMed
Summary
This summary is machine-generated.

Water diffusion in polyelectrolyte complexes (PECs) strongly depends on polyelectrolyte type and hydration. Simulations reveal significant differences in water mobility between PAH-PSS and PDADMA-PAA PECs, impacting their structure and properties.

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Assembly and Characterization of Polyelectrolyte Complex Micelles
08:44

Assembly and Characterization of Polyelectrolyte Complex Micelles

Published on: March 2, 2020

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Area of Science:

  • Materials Science
  • Physical Chemistry
  • Computational Chemistry

Background:

  • Polyelectrolyte complexes (PECs) are versatile materials with applications in various fields.
  • Understanding water diffusion within PECs is crucial for predicting their behavior and properties.
  • Hydration and temperature significantly influence the structure and dynamics of water in confined environments.

Purpose of the Study:

  • To investigate the polyelectrolyte-specific influence of hydration and temperature on water diffusion in PECs.
  • To compare water diffusion in two model PECs: poly(allylamine hydrochloride) (PAH)-poly(sodium 4-styrenesulfonate) (PSS) and poly(diallyldimethylammonium) (PDADMA)-poly(acrylic acid) (PAA).
  • To correlate polyelectrolyte-water interactions with PEC structure and properties.

Main Methods:

  • All-atom molecular dynamics simulations were employed to model water diffusion in hydrated PECs.
  • Radial distribution functions, hydrogen bond distances, and angles were analyzed to characterize polyelectrolyte-water interactions.
  • Experimental validation using differential scanning calorimetry (DSC) determined the states of water at different hydration levels.

Main Results:

  • A 10-fold difference in water diffusion coefficients was observed between PAH-PSS and PDADMA-PAA PECs at similar hydration levels.
  • The PDADMA-PAA PEC showed significant water immobilization at 26-38 wt% hydration, unlike PAH-PSS where immobilized water decreased with hydration.
  • PAA-water hydrogen bonds exhibited lower temperature sensitivity compared to PSS-water hydrogen bonds.

Conclusions:

  • The strength of polyelectrolyte-water hydrogen bonding is a critical determinant of water mobility in PECs.
  • Experimental results confirmed the simulation findings regarding differences in water states between the two PEC systems.
  • Simple molecular-level considerations can predict the water-binding characteristics of PECs.