Lokesh K S, Ramachandra C G, Kumar Thandra Pavan, Kanti Praveen Kumar, Paramasivam Prabhu, Ayanie Abinet Gosaye
Department of Aeronautical Engineering, Srinivas Institute of Technology, Mangalore, Karnataka, 574143, India.
Department of Mechanical Engineering, Presidency University, Bengaluru, India.
Sci Rep. 2025 Jul 1;15(1):20474. doi: 10.1038/s41598-025-04354-0.
In the present study, attempt has been made in understanding the bonding behaviour of mineral filler when it is introduced with epoxy matrix structured with e-glass fibre at molecular level. Firstly, filler content in GFRP composite was analysed through Fourier Transform infrared spectroscopy (FTIR). Here, Silicon dioxide has been chosen as a representative for E-glass fibre as Silicon dioxide holds major part in the composition of an E-glass fibre. DFT simulation techniques has been employed to study the reaction in between them. In order to increase the binding capability, wollastonite has been introduced into the system and many possible configurations were modelled for study. Out of all the models, the model with the highest dipole moment and stability has been considered. Spectral studies such as NMR, VCD and IR studies has been done to witness the oxygen atoms in the glass fibre acted as the connecting bridge in between the silicon atoms of the glass fibre and the carbon atoms of the epoxy resin. But these alone were not enough to obtain a stable structure that was described above. The calcium atoms in the wollastonite acted as better electron bridges and support for the complex. This work majorly focusses on the interactions between epoxy resin(ly556) and SiO molecule and the filler material wollastonite (CaSiO).
在本研究中,已尝试从分子层面理解矿物填料与由电子玻璃纤维构成的环氧基体相结合时的键合行为。首先,通过傅里叶变换红外光谱(FTIR)分析了玻璃纤维增强塑料(GFRP)复合材料中的填料含量。在此,二氧化硅被选作电子玻璃纤维的代表,因为二氧化硅在电子玻璃纤维的成分中占主要部分。采用密度泛函理论(DFT)模拟技术来研究它们之间的反应。为了提高结合能力,将硅灰石引入该体系,并对许多可能的构型进行建模研究。在所有模型中,考虑了偶极矩和稳定性最高的模型。已进行了诸如核磁共振(NMR)、振动圆二色光谱(VCD)和红外光谱等光谱研究,以证实玻璃纤维中的氧原子充当了玻璃纤维硅原子与环氧树脂碳原子之间的连接桥。但仅这些还不足以获得上述稳定结构。硅灰石中的钙原子充当了更好的电子桥并为该络合物提供支撑。这项工作主要聚焦于环氧树脂(ly556)与SiO分子以及填料硅灰石(CaSiO)之间的相互作用。