The Molecular Design of a Macrocycle Descaling Agent Based on Azacrown and the Mechanism of Barium Sulfate Scale Removal

The Molecular Design of a Macrocycle Descaling Agent Based on Azacrown and the Mechanism of Barium Sulfate Scale Removal

The formation of barium sulfate scale is a persistent and formidable challenge across various industrial processes. In order to effectively mitigate this problem, this study proposed the development of an innovative azacrown ether-based macrocycle descaling agent. Using density functional theory, an...

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Bibliographic Details
Main Authors: Da Wu, Dexin Liu, Minghua Shi, Jiaqiang Wang, Han Zhao, Yeliang Dong
Format: Article
Language:English
Published: MDPI AG 2024-10-01
Series:Molecules
Subjects:
density functional theory
adsorption energy
macrocycle
barium sulfate
Online Access:https://www.mdpi.com/1420-3049/29/21/5167
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