Affiliation:
1. 1Key Laboratory of Beijing City on “Preparation and Processing of Novel Polymer Materials”, Beijing University of Chemical Technology, Beijing 100029, People’s Republic of China
Abstract
AbstractThe influence of the microstructure of polycarbonate (PC) on performance was systematically investigated by both experimental method and molecular simulation. Yield stress, impact strength, molecular weight, and transmittance were used to distinguish the degradation processes between different PCs, and thermal degradation kinetics was studied to obtain the activation energy. At the molecular level, through 13C nuclear magnetic resonance (NMR) spectroscopy, it was observed that PCs have a more polar group of benzene rings, resulting in the high density, dielectric constant, and tensile modulus. Meanwhile, molecular dynamics (MD) simulation was employed under a polymer consistent force field force field. Specific volume and mechanical property were analyzed to investigate the thermodynamic property. The molecular dynamics simulation and experimental results on half decomposition temperature (T1/2), refraction index, flow activation energy, average density, cohesive energy density, glass transition temperature (Tg), and elastic modulus had good agreement. Therefore, it was indicated that the molecular simulation could successfully study the characteristics and properties. The fundamental studies would be expected to supply useful information for designing materials and optimizing processing technology.
Subject
Polymers and Plastics,Physical and Theoretical Chemistry,General Chemical Engineering
Reference78 articles.
1. Molecular simulation of micro - structures and gas diffusion behaviour of organic - inorganic hybrid amorphous silica membranes;Chang;Sci,2011
2. Atomistic packing model and free volume distribution of a polymer with intrinsic microporosity;Heuchel;Sci,2008
3. Kinetic study of the stabilizing effect of aluminum trihydroxide on thermal degradation of epoxy resin -;Wang;Polymers,2014
4. SV Melt elasticity and flow activation energy of nylon polystyrene blends;Naira;Mater Lett,2001
5. Effect of surface roughness on structure and dynamics in thin films Theory;Doruker,2001
Cited by
8 articles.
订阅此论文施引文献
订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献