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Insights on Substitution Preference of Pb Ions in Sulfoaluminate Cement Clinker Phases

The doping behaviors of Pb in sulfoaluminate cement (SAC) clinker phases were systematically studied combined with density functional theoretical simulations and experiments. The results present that, in the three composed minerals of C(4)A(3)S, C(2)S, and C(4)AF, Pb ions prefer to incorporate into...

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Autores principales: Zhu, Jianping, Chen, Yang, Zhang, Li, Yang, Kuo, Guan, Xuemao, Zhao, Ruiqi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7796364/
https://www.ncbi.nlm.nih.gov/pubmed/33374311
http://dx.doi.org/10.3390/ma14010044
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author Zhu, Jianping
Chen, Yang
Zhang, Li
Yang, Kuo
Guan, Xuemao
Zhao, Ruiqi
author_facet Zhu, Jianping
Chen, Yang
Zhang, Li
Yang, Kuo
Guan, Xuemao
Zhao, Ruiqi
author_sort Zhu, Jianping
collection PubMed
description The doping behaviors of Pb in sulfoaluminate cement (SAC) clinker phases were systematically studied combined with density functional theoretical simulations and experiments. The results present that, in the three composed minerals of C(4)A(3)S, C(2)S, and C(4)AF, Pb ions prefer to incorporate into C(4)A(3)S by substituting Ca ions. Further analyses from partial density of states, electron density difference, and local distortions show that such doping preference can be attributed to the small distortions as Pb introduced at Ca sites of C(4)A(3)S. The results and clear understandings on the doping behaviors of Pb ions may provide valuable information in guiding the synthesis of Pb-bearing SAC clinker, thus should draw broad interests in fields from sustainable production of cement and environmental protection.
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spelling pubmed-77963642021-01-10 Insights on Substitution Preference of Pb Ions in Sulfoaluminate Cement Clinker Phases Zhu, Jianping Chen, Yang Zhang, Li Yang, Kuo Guan, Xuemao Zhao, Ruiqi Materials (Basel) Article The doping behaviors of Pb in sulfoaluminate cement (SAC) clinker phases were systematically studied combined with density functional theoretical simulations and experiments. The results present that, in the three composed minerals of C(4)A(3)S, C(2)S, and C(4)AF, Pb ions prefer to incorporate into C(4)A(3)S by substituting Ca ions. Further analyses from partial density of states, electron density difference, and local distortions show that such doping preference can be attributed to the small distortions as Pb introduced at Ca sites of C(4)A(3)S. The results and clear understandings on the doping behaviors of Pb ions may provide valuable information in guiding the synthesis of Pb-bearing SAC clinker, thus should draw broad interests in fields from sustainable production of cement and environmental protection. MDPI 2020-12-24 /pmc/articles/PMC7796364/ /pubmed/33374311 http://dx.doi.org/10.3390/ma14010044 Text en © 2020 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Zhu, Jianping
Chen, Yang
Zhang, Li
Yang, Kuo
Guan, Xuemao
Zhao, Ruiqi
Insights on Substitution Preference of Pb Ions in Sulfoaluminate Cement Clinker Phases
title Insights on Substitution Preference of Pb Ions in Sulfoaluminate Cement Clinker Phases
title_full Insights on Substitution Preference of Pb Ions in Sulfoaluminate Cement Clinker Phases
title_fullStr Insights on Substitution Preference of Pb Ions in Sulfoaluminate Cement Clinker Phases
title_full_unstemmed Insights on Substitution Preference of Pb Ions in Sulfoaluminate Cement Clinker Phases
title_short Insights on Substitution Preference of Pb Ions in Sulfoaluminate Cement Clinker Phases
title_sort insights on substitution preference of pb ions in sulfoaluminate cement clinker phases
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7796364/
https://www.ncbi.nlm.nih.gov/pubmed/33374311
http://dx.doi.org/10.3390/ma14010044
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