Difference between revisions of "Development of the Hydronium Ion for MSE"
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2H<sub>2</sub>O → H<sub>3</sub>O<sup>+</sup> + OH<sup>-</sup> | 2H<sub>2</sub>O → H<sub>3</sub>O<sup>+</sup> + OH<sup>-</sup> | ||
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| + | The net result of these two equations is: | ||
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| + | H<sub>3</sub>O<sup>+</sup> = H<sub>2</sub>O + H<sup>+</sup> | ||
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| + | In order to keep predictions the same for dilute solutions it is necessary for fG of this reaction to be equal to 0. Since fG for H+ is equal to 0 at all temperatures and pressures this means that fG for H3O+ has to equal fG for H2O at all temperatures and pressures. In OLI’s thermodynamic framework this requires the development of Helgeson parameters for H3O+ by matching fG for H2O as closely as possible. This was done for a temperature range of 0 to 300 C and for pressures up to over 1000 atmospheres. | ||
Revision as of 08:29, 15 July 2016
Hydronium Ion (H3O+)
The hydrogen ion (H+) has been replaced by the hydronium ion (H3O+) in MSEPUB. The major reason for doing this is to improve the prediction of properties for strong acids. As a result of doing this, the ionization of water is changed from:
H2O → H+ + OH-
To:
2H2O → H3O+ + OH-
The net result of these two equations is:
H3O+ = H2O + H+
In order to keep predictions the same for dilute solutions it is necessary for fG of this reaction to be equal to 0. Since fG for H+ is equal to 0 at all temperatures and pressures this means that fG for H3O+ has to equal fG for H2O at all temperatures and pressures. In OLI’s thermodynamic framework this requires the development of Helgeson parameters for H3O+ by matching fG for H2O as closely as possible. This was done for a temperature range of 0 to 300 C and for pressures up to over 1000 atmospheres.
