Molecular structures of 1-hydroxyethane-1,1-diphosphonic acid for removing calcium sulfate scale under different pH conditions.
Journal
RSC advances
ISSN: 2046-2069
Titre abrégé: RSC Adv
Pays: England
ID NLM: 101581657
Informations de publication
Date de publication:
22 Jun 2023
22 Jun 2023
Historique:
received:
08
05
2023
accepted:
05
06
2023
medline:
26
6
2023
pubmed:
26
6
2023
entrez:
26
6
2023
Statut:
epublish
Résumé
As an important descaling agent, 1-hydroxyethane-1,1-diphosphonic acid (HEDP) is capable of dissolving calcium sulfate scale when the pH of HEDP solution is adjusted from acidic to weakly alkaline. The molecular structures of Ca-HEDP complexes were determined to understand the impact of pH on the dissolution of calcium sulfate scale. The structures of the complexes revealed that the two phosphonic acid groups and the hydroxyl group of HEDP each provide one O atom to coordinate with the Ca ion to form a stable three-coordinate configuration under alkaline conditions. The electronic structures were investigated by interaction region indicator analysis, atoms in molecules analysis, electron localization function and natural population analysis. The deprotonation of the phosphonic acid group enhances the binding of coordinated O atoms and Ca ions as the pH increases, and weak alkalinity is the optimal process condition as strong alkaline conditions result in the precipitation of hydroxide and Ca ions.
Identifiants
pubmed: 37362326
doi: 10.1039/d3ra03052k
pii: d3ra03052k
pmc: PMC10288176
doi:
Types de publication
Journal Article
Langues
eng
Pagination
19058-19064Informations de copyright
This journal is © The Royal Society of Chemistry.
Déclaration de conflit d'intérêts
There are no conflicts to declare.
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