Dissolution mechanism of Fe3O4 scale by 1-hydroxyethane-1,1-diphosphonic acid: an ab initio molecular metadynamics study-Reference-Cited by-同舟云学术

Dissolution mechanism of Fe₃O₄ scale by 1-hydroxyethane-1,1-diphosphonic acid: an ab initio molecular metadynamics study

Published:2023 Issue:35 Volume:25 Page:23901-23908
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Zhao Xiaoyang¹,Jin Guo²,Guo Ding¹,Xiao Xin³^ORCID,Nan Junmin³^ORCID,Wu Chen⁴⁵^ORCID

Affiliation:

1. School of Geomatic and Environmental Engineering, Henan Polytechnic Institute, Nanyang 473000, P. R. China

2. School of Automation Engineering, Henan Polytechnic Institute, Nanyang 473000, P. R. China

3. School of Chemistry, South China Normal University, Guangzhou 510006, P. R. China

4. Department of Physics, School of Science, Harbin University of Science and Technology, Harbin 150080, P. R. China

5. College of Material Science and Engineering, Key Laboratory of Advanced Structural Materials, Ministry of Education, Changchun University of Technology, Changchun 130012, P. R. China

Abstract

Dissolution of Fe3O4 scale by HEDP is a chemical reaction accompanied by proton transport, water adsorption and dissociation, bond breakage, and Fe–HEDP complex formation and migration.

Funder

Henan Provincial Science and Technology Research Project

Department of Science and Technology of Jilin Province

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP01736B

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