基于DFT与分子动力学模拟多尺度计算揭示含环类氨基酸缓蚀机制
Multiscale Computational Study of Corrosion Inhibition Mechanism for Five Cyclic Amino Acids Based on Density Functional Theory (DFT) and Molecular Dynamics (MD) Simulations
基于DFT与分子动力学模拟多尺度计算揭示含环类氨基酸缓蚀机制 |
| 白瑞雨, 黄维安, 贾江鸿, 张燕明, 刘云峰, 王增宝 |
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Multiscale Computational Study of Corrosion Inhibition Mechanism for Five Cyclic Amino Acids Based on Density Functional Theory (DFT) and Molecular Dynamics (MD) Simulations |
| BAI Ruiyu, HUANG Wei'an, JIA Jianghong, ZHANG Yanming, LIU Yunfeng, WANG Zengbao |
| 图9 N80钢在含和不含氨基酸的20%HCl溶液中的电化学测试结果 |
| Fig.9 Electrochemical results of N80 steel in 20%HCl solution with and without amino acids: (a) Nyquist plots, (b) Bode plots, (c) Bode phase diagram, (d) potentiodynamic polarization curves |
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