ISSN 0862-5468 (Print), ISSN 1804-5847 (online) 

Ceramics-Silikáty 66, (2) 137 - 147 (2022)


EFFECT OF Al₂O₃-RO RATIO ON THE STRUCTURE AND PROPERTIES OF ALKALINE EARTH ALUMINOSILICATE GLASS BASED ON THE MOLECULAR DYNAMICS SIMULATION
 
Yang Shengyun 1, Li Sheng 2, Gu Guoxuan 1 , Cao Yi 3, Qu Ya 1 , Zhao Fengyang 4, Yue Yunlong 1 , Kang Junfeng 1
 
1 School of Materials Science and Engineering, University of Jinan, Jinan 250022, China
2 Qingyuan CSG new energy-saving materials Co. Ltd
3 School of Information Science and Engineering, University of Jinan, Jinan 250022, China
4 State Key Laboratory for New Technology of Float Glass, 751 Donghai Dadao, Bengbu, Anhui, China

Keywords: Molecular dynamics simulation, Glass melts, High-temperature viscosity, Micro-structure characteristics, Degree of network polymerisation
 

The molecular dynamics (MD) simulation method was used to study the influence of the Al₂O₃-RO (R=Ca, Mg) ratio on the structure and properties of CaO-MgO-Al₂O₃-SiO₂-Na₂O glass at high temperatures. The micro-structure characteristics, degree of network polymerisation (DNP), and high-temperature viscosity of the glass melts were analysed. The results showed that the coordination number of Si4+ and Al3+ remained about 4 in the process of replacing Al₂O₃ with RO. The silicon-oxygen and aluminium-oxygen tetrahedron content showed a decreasing trend with a decrease in the Al₂O₃ content, the bridging oxygen content decreased, and the degree of the network polymerisation of the glass decreased from 3.33 to 2.79. The decrease in the Al₂O₃ content also caused a rapid decrease in the glass fibre-forming temperature from 1637.66K to 1552.87K. According to the molecular dynamics calculation, the linear relationship between the DNP and fibre-forming temperature was obtained.


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doi: 10.13168/cs.2022.0008
 
 
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