Scripts and Data for "A Generalized Grand-Reaction-Method for Modelling the Exchange of Weak (Polyprotic) Acids between a Solution and a Weak Polyelectrolyte Phase"

DOI

Simulation scripts, simulation data and plotting scripts for the paper "A Generalized Grand-Reaction-Method for Modelling the Exchange of Weak (Polyprotic) Acids between a Solution and a Weak Polyelectrolyte Phase". 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-3255
Metadata Access https://darus.uni-stuttgart.de/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=doi:10.18419/darus-3255
Provenance
Creator Beyer, David ORCID logo; Holm, Christian (ORCID: 0000-0003-2739-310X)
Publisher DaRUS
Contributor Holm, Christian
Publication Year 2023
Funding Reference DFG 451980436 ; DFG 268449726 ; DFG 397384169
Rights CC BY 4.0; info:eu-repo/semantics/openAccess; http://creativecommons.org/licenses/by/4.0
OpenAccess true
Contact Holm, Christian (Institute for Computational Physics, University of Stuttgart)
Representation
Resource Type Dataset
Format text/x-python; application/octet-stream; text/x-fixed-field; text/markdown; application/x-sh
Size 9551; 8719; 9894; 6906; 9297; 9495; 344; 112027682; 56037303; 112023511; 1402; 56037059; 3961; 1824; 5642; 14141; 5779; 9011; 6596; 7819; 632; 577; 1088; 1673; 1685; 1917; 1598; 1647; 1654; 1939; 19221; 22616; 32969; 41135; 26229; 32054; 32088
Version 1.0
Discipline Chemistry; Natural Sciences; Physics