A5060279171- Electrostatics and Colloid Interactions
- Nanopore and Nanochannel Transport Studies
- Electrowetting and Microfluidic Technologies
- Material Dynamics and Properties
- Water Quality Monitoring and Analysis
Aalto University
2022-2023
Electrophoretic (EP) mobility reversal is commonly observed for strongly charged macromolecules in multivalent salt solutions. This curious effect takes place, e.g., when a polymer, such as DNA, adsorbs excess counterions so that the counterion-dressed surface charge reverses its sign, leading to inversion of polymer drift driven by an external electric field. In order characterize this seemingly counterintuitive phenomenon cannot be captured electrostatic mean-field theories, we adapt here...
We use the recently developed soft-potential-enhanced Poisson-Boltzmann (SPB) theory to study interaction between two parallel polyelectrolytes (PEs) in monovalent ionic solutions weak-coupling regime. The SPB is fitted ion distributions from coarse-grained molecular dynamics (MD) simulations and benchmarked against all-atom MD modelling for poly(diallyldimethylammonium) (PDADMA). show that able accurately capture interactions PEs at distances beyond PE radius. For PDADMA positional...
We present a soft-potential-enhanced Poisson-Boltzmann (SPB) theory to efficiently capture ion distributions and electrostatic potential around rodlike charged macromolecules. The SPB model is calibrated with coarse-grained particle-based for polyelectrolytes (PEs) in monovalent salt solutions as well compared full atomistic molecular dynamics simulation the explicit solvent. demonstrate that our modification enables accurately predict PE wide range of charge distribution conditions...