2026-10-11T23:22:24Zhttps://www.radar-service.eu/oai/OAIHandler10.22000/7m1vce62jucq8dvj2026-10-09T11:52:40Zradar4chem
https://dx.doi.org/10.22000/7m1vce62jucq8dvj
Strauch, Christian
Roß, Lars
Schneider, Stefanie
Dataset belonging to publication "Exploring guest molecule uptake in pH-responsive polyelectrolyte microgels via Monte Carlo simulations"
IPC-RWTH Aachen University
2024
Chemistry
dataset
Dataset
CLAIX2018
Instrument
info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc/4.0/legalcode
In this study, the uptake of oppositely charged guest molecules in a pH-responsive polyelectrolyte microgel modeled as a bead-spring network was systematically investigated. For this purpose, Monte Carlo simulations were used. To narrow down system complexity, the guest molecules were modeled as charged hard spheres.
Metropolis Monte Carlo simulations
Software for creating plots: Gnuplot, software for visualization: VMD, software for simulation (Molsim, write an e-mail to authors for access to the code), software for starting simulations (write an e-mail to authors for access to the code), all simulations were carried out on High Performance Cluster CLAIX2018-GPU
Microgels
drug delivery
pH-sensitive
Monte Carlo simulations
eng
10.1039/D4SM00950A
501100001659
application/x-tar