Computer Simulations of Static and Dynamical Properties of Weak Polyelectrolyte Nanogels in Salty Solutions

Computer Simulations of Static and Dynamical Properties of Weak Polyelectrolyte Nanogels in Salty Solutions

We investigate the chemical equilibria of weak polyelectrolyte nanogels with reaction ensemble Monte Carlo simulations. With this method, the chemical identity of the nanogel monomers can change between neutral or charged following the acid-base equilibrium reaction HA ⇌ A− + H+. We investigate the...

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Bibliographic Details
Main Authors: David Sean, Jonas Landsgesell, Christian Holm
Format: Article
Language:English
Published: MDPI AG 2017-12-01
Series:Gels
Subjects:
computer simulations
electrophoresis
molecular dynamics
reaction ensemble Monte Carlo
weak polyelectrolytes
nanogels
Online Access:https://www.mdpi.com/2310-2861/4/1/2

Internet

https://www.mdpi.com/2310-2861/4/1/2

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