Electronic Supporting Information and Data for: The pH-dependent Swelling of Weak Polyelectrolyte Hydrogels Modeled at Different Levels of Resolution
J. Landsgesell, D. Beyer, P. Hebbeker, P. Košovan, and C. Holm. Software, (2022)Related to: Jonas Landsgesell, David Beyer, Pascal Hebbeker, Peter Košovan and Christian Holm. The pH-dependent Swelling of Weak Polyelectrolyte Hydrogels Modeled at Different Levels of Resolution. Macromolecules, 2022, 55, 3176-3188. doi: 10.1021/acs.macromol.1c02489.
DOI: 10.18419/darus-2237
Abstract
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".
Landsgesell, Jonas/Institute for Computational Physics, University of Stuttgart, Beyer, David/Institute for Computational Physics, University of Stuttgart, Hebbeker, Pascal/Department of Physical and Macromolecular Chemistry, Charles University in Prague, Košovan, Peter/Department of Physical and Macromolecular Chemistry, Charles University in Prague, Holm, Christian/Institute for Computational Physics, University of Stuttgart
Related to: Jonas Landsgesell, David Beyer, Pascal Hebbeker, Peter Košovan and Christian Holm. The pH-dependent Swelling of Weak Polyelectrolyte Hydrogels Modeled at Different Levels of Resolution. Macromolecules, 2022, 55, 3176-3188. doi: 10.1021/acs.macromol.1c02489
%0 Generic
%1 landsgesell2022electronic
%A Landsgesell, Jonas
%A Beyer, David Bernhard
%A Hebbeker, Pascal
%A Košovan, Peter
%A Holm, Christian
%D 2022
%K darus ubs_10008 ubs_20014 ubs_30136 ubs_40216 unibibliografie
%R 10.18419/darus-2237
%T Electronic Supporting Information and Data for: The pH-dependent Swelling of Weak Polyelectrolyte Hydrogels Modeled at Different Levels of Resolution
%X 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".
@misc{landsgesell2022electronic,
abstract = {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".},
added-at = {2022-06-09T19:15:45.000+0200},
affiliation = {Landsgesell, Jonas/Institute for Computational Physics, University of Stuttgart, Beyer, David/Institute for Computational Physics, University of Stuttgart, Hebbeker, Pascal/Department of Physical and Macromolecular Chemistry, Charles University in Prague, Košovan, Peter/Department of Physical and Macromolecular Chemistry, Charles University in Prague, Holm, Christian/Institute for Computational Physics, University of Stuttgart},
author = {Landsgesell, Jonas and Beyer, David Bernhard and Hebbeker, Pascal and Košovan, Peter and Holm, Christian},
biburl = {https://puma.ub.uni-stuttgart.de/bibtex/21a5932140536b21b7103fafb32be0804/unibiblio},
doi = {10.18419/darus-2237},
howpublished = {Software},
interhash = {2b5c1b98881051bb002acac0f93cb894},
intrahash = {1a5932140536b21b7103fafb32be0804},
keywords = {darus ubs_10008 ubs_20014 ubs_30136 ubs_40216 unibibliografie},
note = {Related to: Jonas Landsgesell, David Beyer, Pascal Hebbeker, Peter Košovan and Christian Holm. The pH-dependent Swelling of Weak Polyelectrolyte Hydrogels Modeled at Different Levels of Resolution. Macromolecules, 2022, 55, 3176-3188. doi: 10.1021/acs.macromol.1c02489},
orcid-numbers = {Landsgesell, Jonas/0000-0002-9315-8522, Beyer, David/0000-0001-6066-8043, Hebbeker, Pascal/0000-0003-0754-103X, Košovan, Peter/0000-0002-6708-3344, Holm, Christian/0000-0003-2739-310X},
timestamp = {2022-06-09T17:15:45.000+0200},
title = {Electronic Supporting Information and Data for: The pH-dependent Swelling of Weak Polyelectrolyte Hydrogels Modeled at Different Levels of Resolution},
year = 2022
}