Toward an understanding of the Hofmeister effect: A computer game with dipoles and an ion
Research output: Contribution to journal › Article
The solvation of ions in dipolar lattice droplets has been studied using Monte Carlo simulations. It is found that for small dipoles the solvation behavior is similar to that expected from a dielectric model. For larger dipoles, large deviations from dielectric behavior are observed. For the larger dipoles, it is found that only the first layers solvate the ion and that the more-distant dipoles tend to reduce the solvation energy. The obtained results support the idea that there exist two regions in systems with large dipoles. In the region closest to the ion, the ordering of the dipoles is determined by the ion, and further away from the ion, a dipolar regime exists. Between these two regions, there is an interface region that is likely to be important to our. understanding of the Hofmeister effect.
|Research areas and keywords||
Subject classification (UKÄ) – MANDATORY
|Journal||The Journal of Physical Chemistry Part B|
|Publication status||Published - 2002|
The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Theoretical Chemistry (S) (011001039)