Alternate identifier:
-
Related identifier:
(Is Supplement To) 10.1039/D4SM00950A - DOI
Creator/Author:
Strauch, Christian https://orcid.org/0000-0001-9895-3552 [RWTH Aachen University]

Roß, Lars https://orcid.org/0009-0009-2518-4700 [RWTH Aachen University]

Schneider, Stefanie https://orcid.org/0000-0002-4399-0388 [RWTH Aachen University]
Contributors:
-
Title:
Dataset belonging to publication "Exploring guest molecule uptake in pH-responsive polyelectrolyte microgels via Monte Carlo simulations"
Additional titles:
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Description:
(Abstract) 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 c...

(Method) Metropolis Monte Carlo simulations

(Technical Info) 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 Clus...
Keywords:
Microgels
drug delivery
pH-sensitive
Monte Carlo simulations
Related information:
-
Language:
English
Version:
-
Publishers:
IPC-RWTH Aachen University
Production year:
Subject areas:
Chemistry
Resource type:
Dataset
Data source:
(Instrument) CLAIX2018
Software used:
Resource production
Software:
Molsim - 6.4.7
Alternative software:
-
Software used:
Resource production
Software:
simlab - 1.0
Alternative software:
-
Software used:
Resource viewing
Software:
gnuplot - 5.2
Alternative software:
-
Software used:
Resource viewing
Software:
VMD - 1.9.3
Alternative software:
-
Data processing:
-
Publication year:
Rights holders:
Funding:
Deutsche Forschungsgemeinschaft - (SFB 985: Functional Microgels and Microgel Systems) 191948804
Name Storage Metadata Upload Action
Status:
Published
Uploaded by:
CStrauch
Created on:
Archiving date:
2024-11-27
Archive size:
359.0 MB
Archive creator:
nicoleparks
Archive checksum:
18009423132cc46fd63a57bdada886a7 (MD5)
Embargo period:
-