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2 313 K下不同扩散体系的晶胞结构

Fig.2 Cell structure of different diffusion systems at 313 K: (a) SB-LDPE, (b) BTA-LDPE, (c) SB-BTA-LDPE