Interactions between stearic acid and calcite surfaces: Experimental and computer simulation studies

Abstract Calcite surface was modified with stearic acids, and the interaction between them was investigated both experimentally and theoretically. Stearic‐acid‐modified calcite powders were investigated with Fourier transform infrared spectroscopy, X‐ray diffraction, zeta potential analyser and cont...

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Main Authors:	Lihua Zhang, Laibao Liu, Xiaopeng Li, Youhong Tang, Chuanbei Liu, Hong‐Ping Zhang
Format:	Article
Language:	English
Published:	Wiley 2021-09-01
Series:	Biosurface and Biotribology
Online Access:	https://doi.org/10.1049/bsb2.12017

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spelling	doaj-b9a9127a4e474890b39590dd7ba04a442021-08-16T03:52:20ZengWileyBiosurface and Biotribology2405-45182021-09-017312613210.1049/bsb2.12017Interactions between stearic acid and calcite surfaces: Experimental and computer simulation studiesLihua Zhang0Laibao Liu1Xiaopeng Li2Youhong Tang3Chuanbei Liu4Hong‐Ping Zhang5Engineering Research Center of Biomass Materials Ministry of Education School of Materials Science and Engineering Southwest University of Science and Technology Mianyang Sichuan ChinaEngineering Research Center of Biomass Materials Ministry of Education School of Materials Science and Engineering Southwest University of Science and Technology Mianyang Sichuan ChinaEngineering Research Center of Biomass Materials Ministry of Education School of Materials Science and Engineering Southwest University of Science and Technology Mianyang Sichuan ChinaInstitute for NanoScale Science and Technology College of Science and Engineering Flinders University Adelaide South Australia AustraliaEngineering Research Center of Biomass Materials Ministry of Education School of Materials Science and Engineering Southwest University of Science and Technology Mianyang Sichuan ChinaEngineering Research Center of Biomass Materials Ministry of Education School of Materials Science and Engineering Southwest University of Science and Technology Mianyang Sichuan ChinaAbstract Calcite surface was modified with stearic acids, and the interaction between them was investigated both experimentally and theoretically. Stearic‐acid‐modified calcite powders were investigated with Fourier transform infrared spectroscopy, X‐ray diffraction, zeta potential analyser and contact angle measurement. Then, the density functional theory calculations were performed to explore the interaction at the atomic scale. The experimental results and simulation indicated that stearic acids interact with calcite surface via chelation between the double‐bond O atom of –COOH and the Ca atom on calcite surface. The terminal methyl group of the stearic acids decreases the hydrophilicity of the calcite surface, and the interaction between different crystal faces of calcite is different.https://doi.org/10.1049/bsb2.12017
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Lihua Zhang Laibao Liu Xiaopeng Li Youhong Tang Chuanbei Liu Hong‐Ping Zhang
spellingShingle	Lihua Zhang Laibao Liu Xiaopeng Li Youhong Tang Chuanbei Liu Hong‐Ping Zhang Interactions between stearic acid and calcite surfaces: Experimental and computer simulation studies Biosurface and Biotribology
author_facet	Lihua Zhang Laibao Liu Xiaopeng Li Youhong Tang Chuanbei Liu Hong‐Ping Zhang
author_sort	Lihua Zhang
title	Interactions between stearic acid and calcite surfaces: Experimental and computer simulation studies
title_short	Interactions between stearic acid and calcite surfaces: Experimental and computer simulation studies
title_full	Interactions between stearic acid and calcite surfaces: Experimental and computer simulation studies
title_fullStr	Interactions between stearic acid and calcite surfaces: Experimental and computer simulation studies
title_full_unstemmed	Interactions between stearic acid and calcite surfaces: Experimental and computer simulation studies
title_sort	interactions between stearic acid and calcite surfaces: experimental and computer simulation studies
publisher	Wiley
series	Biosurface and Biotribology
issn	2405-4518
publishDate	2021-09-01
description	Abstract Calcite surface was modified with stearic acids, and the interaction between them was investigated both experimentally and theoretically. Stearic‐acid‐modified calcite powders were investigated with Fourier transform infrared spectroscopy, X‐ray diffraction, zeta potential analyser and contact angle measurement. Then, the density functional theory calculations were performed to explore the interaction at the atomic scale. The experimental results and simulation indicated that stearic acids interact with calcite surface via chelation between the double‐bond O atom of –COOH and the Ca atom on calcite surface. The terminal methyl group of the stearic acids decreases the hydrophilicity of the calcite surface, and the interaction between different crystal faces of calcite is different.
url	https://doi.org/10.1049/bsb2.12017
work_keys_str_mv	AT lihuazhang interactionsbetweenstearicacidandcalcitesurfacesexperimentalandcomputersimulationstudies AT laibaoliu interactionsbetweenstearicacidandcalcitesurfacesexperimentalandcomputersimulationstudies AT xiaopengli interactionsbetweenstearicacidandcalcitesurfacesexperimentalandcomputersimulationstudies AT youhongtang interactionsbetweenstearicacidandcalcitesurfacesexperimentalandcomputersimulationstudies AT chuanbeiliu interactionsbetweenstearicacidandcalcitesurfacesexperimentalandcomputersimulationstudies AT hongpingzhang interactionsbetweenstearicacidandcalcitesurfacesexperimentalandcomputersimulationstudies
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Interactions between stearic acid and calcite surfaces: Experimental and computer simulation studies

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