Electronic Supporting Information and Data for: The pH-dependent Swelling of Weak Polyelectrolyte Hydrogels Modeled at Different Levels of Resolution

DOI

Electronic supporting information, simulation scripts, simulation data and plotting scripts for the paper "The pH-dependent Swelling of Weak Polyelectrolyte Hydrogels Modeled at Different Levels of Resolution". In this work, we investigate the swelling properties of weak (pH-responsive) polyelectrolyte gels at various pH and salt concentrations, using a hierarchy of models, going from particle-based to field-based models. Here, we provide the simulation scripts and data for the different gel models. More information can be found in README.md. Some of the subdirectories also contain README files. The directory structure is best viewed using the option "Tree".

Identifier
DOI https://doi.org/10.18419/darus-2237
Related Identifier IsCitedBy https://doi.org/10.1021/acs.macromol.1c02489
Metadata Access https://darus.uni-stuttgart.de/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=doi:10.18419/darus-2237
Provenance
Creator Landsgesell, Jonas ORCID logo; Beyer, David ORCID logo; Hebbeker, Pascal (ORCID: 0000-0003-0754-103X); 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 application/pdf; text/x-python; application/octet-stream; text/tab-separated-values; text/x-fixed-field; text/markdown
Size 19269; 21749; 21685; 21917; 21851; 7181; 79046213; 15405; 15428; 21211; 1701; 18566; 16424; 17513; 6715; 18937; 16363; 17642; 20731893; 2640; 3979; 3800; 3274; 33443; 218889; 199955; 208308; 74702; 177277; 198577; 208538; 287580; 284868; 265509; 285088; 21499; 22976; 8096; 18779; 18749; 19661; 19064; 18982; 2103; 777; 2596; 33423; 30166; 3588; 19935; 33182; 25381; 33348; 105380; 507813; 1316621; 29675; 1097857
Version 1.0
Discipline Chemistry; Natural Sciences; Physics