A continuum solvent model of ion-ion interactions in water
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Duignan, Timothy; Parsons, Drew; Ninham, Barry
Description
The calculation of ion-ion interactions in water is a problem of long standing importance. Modelling these interactions is a prerequisite to explaining Hofmeister (specific ion) effects. We here generalize our solvation model of ions to calculate the free energy of two ions in water as a function of separation. The same procedure has previously been applied to calculate ion interactions with the air-water interface successfully. The Conductor like Screening Model (COSMO) is used. This treats...[Show more]
Collections | ANU Research Publications |
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Date published: | 2014 |
Type: | Journal article |
URI: | http://hdl.handle.net/1885/75612 |
Source: | Physical Chemistry Chemical Physics |
DOI: | 10.1039/c4cp02822h |
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01_Duignan_A_continuum_solvent_model_of_2014.pdf | 2.94 MB | Adobe PDF | Request a copy |
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