Optical and mechanical properties of waterborne nano-CaCO3/polyethylene coatings: Experimental, DFT, and wave optics investigation

IF 3.8 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Optical Materials Pub Date : 2024-11-01 DOI:10.1016/j.optmat.2024.116377

Zhang Zhexuan , Zhou Yang , Li Runfeng , Zhan Huasheng , Zihua Zhang , Yuanhao Zhao , Li Shibo , Huang Zhenying

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引用次数: 0

Abstract

This study analyzed the impact of nano-CaCO₃ content on the optical and mechanical properties of waterborne nano-CaCO₃/polyethylene coatings. The results showed a marginal reduction in lightness (L∗) and contrast ratio alongside incremental nano-CaCO₃ content, but substantial increases in scrubbing resistance and stain resistance were observed. Nano-CaCO₃ enhances shear resistance through intermolecular interactions. It revealed the interface interaction energy of the nano-CaCO₃/polyethylene model at 11.90 kJ/mol. Measured and calculated optical properties confirmed a decrease in L∗ and contrast ratio when TiO₂ was replaced by nano-CaCO₃. Optical properties were predicted using DFT, and response and impedance matching with varying nano-CaCO₃ content were assessed using the wave optics model.

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水性纳米 CaCO3/ 聚乙烯涂层的光学和机械性能：实验、DFT 和波光学研究

本研究分析了纳米碳酸钙含量对水性纳米碳酸钙/聚乙烯涂料的光学和机械性能的影响。结果表明，随着纳米 CaCO3 含量的增加，亮度（L∗）和对比度略有降低，但耐擦洗性和耐沾污性大幅提高。纳米 CaCO3 通过分子间相互作用增强了抗剪切性。研究表明，纳米 CaCO3/聚乙烯模型的界面相互作用能为 11.90 kJ/mol。测量和计算的光学特性证实，纳米 CaCO3 取代 TiO2 后，L∗ 和对比度均有所下降。使用 DFT 预测了光学特性，并使用波光学模型评估了纳米 CaCO3 含量变化时的响应和阻抗匹配情况。

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来源期刊

Optical Materials 工程技术-材料科学：综合

CiteScore

6.60

自引率

12.80%

发文量

1265

审稿时长

38 days

期刊介绍： Optical Materials has an open access mirror journal Optical Materials: X, sharing the same aims and scope, editorial team, submission system and rigorous peer review. The purpose of Optical Materials is to provide a means of communication and technology transfer between researchers who are interested in materials for potential device applications. The journal publishes original papers and review articles on the design, synthesis, characterisation and applications of optical materials. OPTICAL MATERIALS focuses on: • Optical Properties of Material Systems; • The Materials Aspects of Optical Phenomena; • The Materials Aspects of Devices and Applications. Authors can submit separate research elements describing their data to Data in Brief and methods to Methods X.