Electronic Supporting Information and Data for: Simulations Explain the Swelling Behavior of Hydrogels with Alternating Neutral and Weakly Acidic Blocks

DOI

Electronic supporting information, simulation scripts, simulation data and plotting scripts for the paper "Simulations Explain the Swelling Behavior of Hydrogels with Alternating Neutral and Weakly Acidic Blocks". In this work we use coarse-grained computer simulations to investigate the swelling behaviour of a tetra-PEG-tetra-PAA hydrogel.

In this repository we provide the scripts needed for the simulations and data analysis as well as the electronic supporting information (ESI). More information can be found in README.md. The directory structure is best viewed using the option "Tree".

Identifier
DOI https://doi.org/10.18419/darus-2277
Metadata Access https://darus.uni-stuttgart.de/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=doi:10.18419/darus-2277
Provenance
Creator Beyer, David ORCID logo; Košovan, Peter ORCID logo; Holm, Christian (ORCID: 0000-0003-2739-310X)
Publisher DaRUS
Contributor Holm, Christian; Košovan, Peter
Publication Year 2022
Funding Reference DFG 423435431 ; DFG 451980436 ; DFG 429529433 ; Czech Science Foundation 21-31978J
Rights info:eu-repo/semantics/openAccess
OpenAccess true
Contact Holm, Christian (Institute for Computational Physics, University of Stuttgart); Košovan, Peter (Department of Physical and Macromolecular Chemistry, Charles University in Prague)
Representation
Resource Type Dataset
Format text/x-python; text/plain; application/pdf; text/x-fixed-field; text/markdown; application/x-sh; application/octet-stream; video/mp4
Size 22974; 868; 802085; 1824; 3980; 10490; 7482; 21267; 1851; 29118; 28974; 28684; 4887; 1489; 1338; 32295; 28122; 31245162; 679; 132097625
Version 2.0
Discipline Chemistry; Natural Sciences; Physics