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

图9 不同扩散体系中BTA/SB分子的扩散轨迹

Fig.9 Diffusion trajectories of BTA, SB in different diffusion systems: (a) diffusion trajectories of BTA, SB in LDPE at 298 K, (b) diffusion trajectories of BTA, SB in LDPE at 313 K, (c) diffusion trajectories of BTA, SB in LDPE at 328 K, (d) diffusion trajectories of BTA, SB in SB-BTA- LDPE (2∶2∶1) at 313 K, (e) diffusion trajectories of BTA, SB in SB-BTA- LDPE (6∶2∶1) at 313 K, (f) diffusion trajectories of BTA, SB in SB-BTA-LDPE (10∶2∶1) at 313 K