Theoretical Study of Fast Calculation of Damping Loss Factors for Rubber Polymers

被引:8
作者
Wang, Youwei [1 ,2 ]
Song, Erhong [1 ,2 ]
Pei, Yongwei [3 ]
Li, Chong [3 ]
Liu, Jianjun [1 ,2 ]
机构
[1] Chinese Acad Sci, State Key Lab High Peiformance Ceram & Superfine, Shanghai Inst Ceram, Shanghai 200050, Peoples R China
[2] Univ Chinese Acad Sci, Coll Mat Sci & Optoelect Technol, Beijing 100049, Peoples R China
[3] China Univ Min & Technol, Sch Mat & Phys, Xuzhou 221116, Jiangsu, Peoples R China
来源
JOURNAL OF PHYSICAL CHEMISTRY LETTERS | 2020年 / 11卷 / 15期
基金
中国国家自然科学基金;
关键词
MOLECULAR-DYNAMICS;
D O I
10.1021/acs.jpclett.0c01661
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
Rubber polymers as acoustic damping materials are widely used in industrial sectors. However, there is still no theoretical method to rapidly predict the damping properties of rubber polymers. Here we propose a theoretical method for the fast calculation of damping loss factors in rubber polymers. Molecular dynamics simulations were employed to construct the optimal configuration of internal polymer chains with density as the descriptor in order to calculate the mechanical properties and thus the damping loss factors. The acceptable difference between the calculated and experimental damping loss factors shows that the proposed method is efficient to predict the intrinsic damping properties of rubber polymers. Through studying the relationship among composition, microstructure, and the damping property, we found that the carbon-carbon skeletal chains with lateral methyl groups produce high damping properties.
引用
收藏
页码:6025 / 6031
页数:7
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