2026-06-21T05:56:19Zhttps://www.radar-service.eu/oai/OAIHandler10.22000/7m1vce62jucq8dvj2024-11-27T09:50:34Zradar4chem
10.22000/7m1vce62jucq8dvj
Strauch, Christian
Christian
Strauch
0000-0001-9895-3552
RWTH Aachen University
Roß, Lars
Lars
Roß
0009-0009-2518-4700
RWTH Aachen University
Schneider, Stefanie
Stefanie
Schneider
0000-0002-4399-0388
RWTH Aachen University
Dataset belonging to publication "Exploring guest molecule uptake in pH-responsive polyelectrolyte microgels via Monte Carlo simulations"
IPC-RWTH Aachen University
2021-2024
2024
Chemistry
Microgels
drug delivery
pH-sensitive
Monte Carlo simulations
Open Access
Creative Commons Attribution Non Commercial 4.0 International
RWTH Aachen University
https://ror.org/04xfq0f34
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
CLAIX2018
en
10.1039/D4SM00950A
Deutsche Forschungsgemeinschaft
501100001659
191948804
SFB 985: Functional Microgels and Microgel Systems
application/x-tar