Article ; Online: Resolving the Equal Number Density Puzzle: Molecular Picture from Simulations of LiCl(aq) and NaCl(aq).
The journal of physical chemistry. B
2021 Volume 125, Issue 12, Page(s) 3153–3162
Abstract: The change in number densities of aqueous solutions of alkali chlorides should be qualitatively predictable. Typically, as cations get larger, the number density of the solution decreases. However, aqueous solutions of lithium and sodium chloride exhibit ...
Abstract | The change in number densities of aqueous solutions of alkali chlorides should be qualitatively predictable. Typically, as cations get larger, the number density of the solution decreases. However, aqueous solutions of lithium and sodium chloride exhibit at ambient conditions practically identical number densities at equal molalities despite different ionic sizes. Here, we provide an atomistic interpretation of this experimentally observed anomalous behavior using molecular dynamics simulations. The obtained results show that the rigidity of the Li |
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Language | English |
Publishing date | 2021-02-03 |
Publishing country | United States |
Document type | Journal Article ; Research Support, Non-U.S. Gov't |
ISSN | 1520-5207 |
ISSN (online) | 1520-5207 |
DOI | 10.1021/acs.jpcb.0c10599 |
Database | MEDical Literature Analysis and Retrieval System OnLINE |
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