Grand-Reaction Method for Simulations of Ionization Equilibria and Ion Partitioning in a Broad Range of pH and Ionic Strength

23 September 2019, Version 2
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

On 16th September 2019 we found a major flaw in the original manuscript, that has been uploaded to ChemRXiv. To prevent readers from implementing and using a flawed algorithm, we decided to replace the manuscript with this notice. We anticipate to upload a corrected version within few weeks.

Keywords

simulation
coarse-grained
pH
acid-base
donnan
polyelectrolyte

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