University of Oulu

Tuomas Vielma, Thermodynamic model for CoSO4(aq) and the related solid hydrates in the temperature range from 270 to 374 K and at atmospheric pressure, Calphad, Volume 72, 2021, 102230, ISSN 0364-5916, https://doi.org/10.1016/j.calphad.2020.102230

Thermodynamic model for CoSO₄(aq) and the related solid hydrates in the temperature range from 270 to 374 K and at atmospheric pressure

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Author: Vielma, Tuomas1
Organizations: 1Research Unit of Sustainable Chemistry, University of Oulu, University of Oulu, P. O. Box 3000, 90014, Oulu, Finland
Format: article
Version: accepted version
Access: embargoed
Persistent link: http://urn.fi/urn:nbn:fi-fe20201218101451
Language: English
Published: Elsevier, 2021
Publish Date: 2022-12-10
Description:

Abstract

Available literature on the thermodynamic properties of binary CoSO₄ – H₂O system has been reviewed and used to derive a model for calculating the solution properties and phase equilibria in a thermodynamically consistent manner. The solution model is based on the Pitzer ion interaction approach and, with 10 adjustable parameters, is able reproduce the available literature data with good accuracy from 270 to 374 K. The length and exact form of temperature dependence of the model was optimised using the ”structural optimisation” scheme. Properties of the solid hydrates have been included in the model for calculation of solubilities. The model has been validated by successfully predicting metastable solubilities and solid–liquid–vapor equilibrium pressures.

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Series: CALPHAD. Computer coupling of phase diagrams and thermochemistry
ISSN: 0364-5916
ISSN-E: 1873-2984
ISSN-L: 0364-5916
Volume: 72
Article number: 102230
DOI: 10.1016/j.calphad.2020.102230
OADOI: https://oadoi.org/10.1016/j.calphad.2020.102230
Type of Publication: A1 Journal article – refereed
Field of Science: 116 Chemical sciences
Subjects:
Funding: Walter Ahlström Foundation (Finland) is acknowledged for funding the author's visit to Murdoch University (Perth, Western Australia), where this work was brought to completion.
Copyright information: © 2020. This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/.
  https://creativecommons.org/licenses/by-nc-nd/4.0/