硬脂酸和方解石表面的相互作用:实验和计算机模拟研究

IF 1.6 Q4 ENGINEERING, BIOMEDICAL Biosurface and Biotribology Pub Date : 2021-07-26 DOI:10.1049/bsb2.12017
Lihua Zhang, Laibao Liu, Xiaopeng Li, Youhong Tang, Chuanbei Liu, Hong-Ping Zhang
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引用次数: 0

摘要

用硬脂酸对方解石表面进行改性,并从实验和理论两方面研究了它们之间的相互作用。采用傅里叶变换红外光谱、x射线衍射、zeta电位分析仪和接触角测量对硬脂酸改性方解石粉体进行了研究。然后,用密度泛函理论计算了原子尺度上的相互作用。实验和模拟结果表明,硬脂酸通过-COOH的双键O原子与方解石表面Ca原子的螯合作用与方解石表面发生相互作用。硬脂酸端甲基降低了方解石表面的亲水性,方解石不同晶面之间的相互作用也不同。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

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

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.

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来源期刊
Biosurface and Biotribology
Biosurface and Biotribology Engineering-Mechanical Engineering
CiteScore
1.70
自引率
0.00%
发文量
27
审稿时长
11 weeks
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