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Thermodynamic Modeling of Calcium Sulfate Hydrates in the CaSO(4)–H(2)O System from 273.15 to 473.15 K with Extension to 548.15 K
[Image: see text] Calcium sulfate is one of the most common inorganic salts with a high scaling potential. The solubility of calcium sulfate was modeled with the Pitzer equation at a temperature range from 273.15 to 473.15 K from published solubility data, which was critically evaluated. Only two Pi...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical
Society
2019
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7076736/ https://www.ncbi.nlm.nih.gov/pubmed/32201435 http://dx.doi.org/10.1021/acs.jced.9b00112 |
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author | Shen, Leiting Sippola, Hannu Li, Xiaobin Lindberg, Daniel Taskinen, Pekka |
author_facet | Shen, Leiting Sippola, Hannu Li, Xiaobin Lindberg, Daniel Taskinen, Pekka |
author_sort | Shen, Leiting |
collection | PubMed |
description | [Image: see text] Calcium sulfate is one of the most common inorganic salts with a high scaling potential. The solubility of calcium sulfate was modeled with the Pitzer equation at a temperature range from 273.15 to 473.15 K from published solubility data, which was critically evaluated. Only two Pitzer parameters, β((1)) and β((2)), with simple temperature dependency are required to model the solubility with excellent extrapolating capabilities up to 548.15 K. The stable temperature range for gypsum is 273.15–315.95 K, whereas above 315.95 K the stable phase is anhydrite. Hemihydrate is in the metastable phase in the whole temperature range, and the obtained metastable invariant temperature from gypsum to hemihydrate is 374.55 K. The obtained enthalpy and entropy changes at 298.15 K for the solubility reactions are in good agreement with literature values yielding solubility products of 2.40 × 10(–05), 3.22 × 10(–05), and 8.75 × 10(–05) for gypsum, anhydrite, and hemihydrate, respectively. The obtained Pitzer model for the CaSO(4)–H(2)O system is capable of predicting the independent activity and osmotic coefficient data with experimental accuracy. The mean absolute average error of activity coefficient data at 298.15 K is less than 2.2%. Our model predicts the osmotic coefficient on the ice curve within 1.5% maximum error. |
format | Online Article Text |
id | pubmed-7076736 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | American Chemical
Society |
record_format | MEDLINE/PubMed |
spelling | pubmed-70767362020-03-18 Thermodynamic Modeling of Calcium Sulfate Hydrates in the CaSO(4)–H(2)O System from 273.15 to 473.15 K with Extension to 548.15 K Shen, Leiting Sippola, Hannu Li, Xiaobin Lindberg, Daniel Taskinen, Pekka J Chem Eng Data [Image: see text] Calcium sulfate is one of the most common inorganic salts with a high scaling potential. The solubility of calcium sulfate was modeled with the Pitzer equation at a temperature range from 273.15 to 473.15 K from published solubility data, which was critically evaluated. Only two Pitzer parameters, β((1)) and β((2)), with simple temperature dependency are required to model the solubility with excellent extrapolating capabilities up to 548.15 K. The stable temperature range for gypsum is 273.15–315.95 K, whereas above 315.95 K the stable phase is anhydrite. Hemihydrate is in the metastable phase in the whole temperature range, and the obtained metastable invariant temperature from gypsum to hemihydrate is 374.55 K. The obtained enthalpy and entropy changes at 298.15 K for the solubility reactions are in good agreement with literature values yielding solubility products of 2.40 × 10(–05), 3.22 × 10(–05), and 8.75 × 10(–05) for gypsum, anhydrite, and hemihydrate, respectively. The obtained Pitzer model for the CaSO(4)–H(2)O system is capable of predicting the independent activity and osmotic coefficient data with experimental accuracy. The mean absolute average error of activity coefficient data at 298.15 K is less than 2.2%. Our model predicts the osmotic coefficient on the ice curve within 1.5% maximum error. American Chemical Society 2019-04-09 2019-06-13 /pmc/articles/PMC7076736/ /pubmed/32201435 http://dx.doi.org/10.1021/acs.jced.9b00112 Text en Copyright © 2019 American Chemical Society This is an open access article published under a Creative Commons Attribution (CC-BY) License (http://pubs.acs.org/page/policy/authorchoice_ccby_termsofuse.html) , which permits unrestricted use, distribution and reproduction in any medium, provided the author and source are cited. |
spellingShingle | Shen, Leiting Sippola, Hannu Li, Xiaobin Lindberg, Daniel Taskinen, Pekka Thermodynamic Modeling of Calcium Sulfate Hydrates in the CaSO(4)–H(2)O System from 273.15 to 473.15 K with Extension to 548.15 K |
title | Thermodynamic Modeling of Calcium Sulfate Hydrates
in the CaSO(4)–H(2)O System from 273.15 to
473.15 K with Extension to 548.15 K |
title_full | Thermodynamic Modeling of Calcium Sulfate Hydrates
in the CaSO(4)–H(2)O System from 273.15 to
473.15 K with Extension to 548.15 K |
title_fullStr | Thermodynamic Modeling of Calcium Sulfate Hydrates
in the CaSO(4)–H(2)O System from 273.15 to
473.15 K with Extension to 548.15 K |
title_full_unstemmed | Thermodynamic Modeling of Calcium Sulfate Hydrates
in the CaSO(4)–H(2)O System from 273.15 to
473.15 K with Extension to 548.15 K |
title_short | Thermodynamic Modeling of Calcium Sulfate Hydrates
in the CaSO(4)–H(2)O System from 273.15 to
473.15 K with Extension to 548.15 K |
title_sort | thermodynamic modeling of calcium sulfate hydrates
in the caso(4)–h(2)o system from 273.15 to
473.15 k with extension to 548.15 k |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7076736/ https://www.ncbi.nlm.nih.gov/pubmed/32201435 http://dx.doi.org/10.1021/acs.jced.9b00112 |
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