Theoretical and Experimental Determination of Thermomechanical Properties of Epoxy-SiO2 Nanocomposites

被引：2

作者：

Adnan, Mohammed Mostafa ^{[1
]}

Kroyan, Arpenik ^{[1
]}

Srivastava, Chaman ^{[2
]}

Grammatikos, Sotirios ^{[2
]}

Glaum, Julia ^{[1
]}

Glomm Ese, Marit-Helen ^{[3
]}

Schnell, Sondre Kvalvag ^{[1
]}

Einarsrud, Mari-Ann ^{[1
]}

机构：

[1] NTNU Norwegian Univ Sci & Technol, Dept Mat Sci & Engn, N-7491 Trondheim, Norway

[2] NTNU Norwegian Univ Sci & Technol, Dept Mfg & Civil Engn, Lab Adv & Sustainable Engn Mat ASEMlab, N-2815 Gjovik, Norway

[3] SINTEF Energy Res AS, N-7034 Trondheim, Norway

来源：

CHEMPHYSCHEM | 2023年 / 24卷 / 11期

关键词：

epoxy; glass transition behaviour; molecular dynamics simulations; nanocomposites; thermomechanical properties; CROSS-LINKED EPOXY; MOLECULAR-DYNAMICS; THERMAL-CONDUCTIVITY; GLASS-TRANSITION; SIMULATION; INTERFACE; POLYMERS; BEHAVIOR;

D O I：

10.1002/cphc.202200443

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Improvements in the thermomechanical properties of epoxy upon inclusion of well-dispersed SiO2 nanoparticles have been demonstrated both experimentally and through molecular dynamics simulations. The SiO2 was represented by two different dispersion models: dispersed individual molecules and as spherical nanoparticles. The calculated thermodynamic and thermomechanical properties were consistent with experimental results. Radial distribution functions highlight the interactions of different parts of the polymer chains with the SiO2 between 3 and 5 nm into the epoxy, depending on the particle size. The findings from both models were verified against experimental results, such as the glass transition temperature and tensile elastic mechanical properties, and proved suitable for predicting thermomechanical and physicochemical properties of epoxy-SiO2 nanocomposites.

引用

页数：7

共 33 条

[1] A molecular dynamics simulation study to investigate the effect of filler size on elastic properties of polymer nanocomposites [J].