苯骈三氮唑与苯甲酸钠在气相防锈膜中扩散机理的分子动力学模拟研究

程学雨, 叶桓, 郭程皓, 卢立新, 李伟哲

Molecular Dynamics Simulation of Diffusion Behavior of Benzotriazole and Sodium Benzoate in Volatile Corrosion Inhibitor Film

CHENG Xueyu, YE Huan, GUO Chenghao, LU Lixin, LI Weizhe

表6 不同扩散体系中LDPE的自扩散系数

Table 6 Self-diffusion coefficient of LDPE in different diffusion systems

Model Temperature / K Self-diffusion coefficient / cm2·s-1 BTA-LDPE 298 6.24 × 10-8 313 9.37 × 10-8 328 1.08 × 10-7 SB- LDPE 298 1.13 × 10-7 313 1.34 × 10-7 328 1.39 × 10-7 SB-BTA-PE = 2∶2∶1 313 6.70 × 10-8 SB-BTA-PE = 6∶2∶1 5.22 × 10-8 SB-BTA-PE = 10∶2∶1 3.81 × 10-8