Misc,

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

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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".

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