Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Shen, Leiting, Sippola, Hannu, Li, Xiaobin, Lindberg, Daniel, Taskinen, Pekka
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2019
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
_version_ 1783507274515349504
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
work_keys_str_mv AT shenleiting thermodynamicmodelingofcalciumsulfatehydratesinthecaso4h2osystemfrom27315to47315kwithextensionto54815k
AT sippolahannu thermodynamicmodelingofcalciumsulfatehydratesinthecaso4h2osystemfrom27315to47315kwithextensionto54815k
AT lixiaobin thermodynamicmodelingofcalciumsulfatehydratesinthecaso4h2osystemfrom27315to47315kwithextensionto54815k
AT lindbergdaniel thermodynamicmodelingofcalciumsulfatehydratesinthecaso4h2osystemfrom27315to47315kwithextensionto54815k
AT taskinenpekka thermodynamicmodelingofcalciumsulfatehydratesinthecaso4h2osystemfrom27315to47315kwithextensionto54815k