Simoes, M.C. orcid.org/0000-0002-6904-6280, Hughes, K.J., Ingham, D.B. et al. (2 more authors) (2017) Temperature Dependence of the Parameters in the Pitzer Equations. Journal of Chemical & Engineering Data, 62 (7). pp. 2000-2013. ISSN 0021-9568
Abstract
The effects of temperature on the virial coefficients in the Pitzer equations are not known in general, and this is because the vast majority of experiments performed to investigate the properties of the aqueous electrolytes were conducted only at a temperature of 25 °C. Consequently, most of the parameters in the Pitzer equations that are available in the literature were estimated at this temperature. Therefore, finding a way to estimate the virial coefficients at different temperatures is highly important. To achieve this, new equations that correlate the virial coefficients with the temperature and the properties of the ions, i.e., ionic radius and ionic charge, are derived. As a result, these new derived equations were able to accurately predict the apparent relative molal enthalpies at 25 °C, as well as the activity and osmotic coefficients at temperatures up to 150 °C for electrolytes that are unlikely to form ion pairs. Moreover, comparison plots are presented to demonstrate the good agreement between the predictions of the correlating equations and the experimental data obtained from the literature.
Metadata
Item Type: | Article |
---|---|
Authors/Creators: |
|
Copyright, Publisher and Additional Information: | © 2017 American Chemical Society. This is an author produced version of a paper subsequently published in Journal of Chemical and Engineering Data. Uploaded in accordance with the publisher's self-archiving policy. |
Dates: |
|
Institution: | The University of Sheffield |
Academic Units: | The University of Sheffield > Faculty of Engineering (Sheffield) > Department of Mechanical Engineering (Sheffield) |
Depositing User: | Symplectic Sheffield |
Date Deposited: | 27 Jul 2017 09:58 |
Last Modified: | 27 Jun 2018 00:39 |
Published Version: | https://doi.org/10.1021/acs.jced.7b00022 |
Status: | Published |
Publisher: | American Chemical Society |
Refereed: | Yes |
Identification Number: | 10.1021/acs.jced.7b00022 |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:119572 |