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应用电化学动电位扫描方法研究了在含低浓度H2 S的硫酸溶液中Cl- 对铁阳极溶解的影响。采用量子化学计算方法 (CNDO/2 ) ,得到了Cl- 与HS- 在电极表面吸附的稳定形态 ,优化计算了阳极电位下Cl- 与HS- 竞争吸附的总能量、结合能和Fe原子净电荷分布。结果表明 ,一定浓度的Cl- 可在电极表面阳极区稳定吸附 ,从而降低HS- 的界面浓度 ,抑制铁的阳极反应 ;Cl- 达到饱和吸附后 ,铁溶解反应途径发生改变 ,此时Fe(Cl- ) ads作为吸附中间物促进阳极反应 ;Cl- 作用转化的临界浓度为 1mol/L。
The electrochemical kinetic potential scan method was used to study the effect of Cl- on the anodic dissolution of iron in sulfuric acid solutions containing low concentrations of H2S. By using the quantum chemical calculation method (CNDO / 2), the stable morphology of Cl- and HS- adsorbed on the electrode surface was obtained. The total energies of Cl- and HS- adsorption at the anode potential were optimized. The binding energy and the net charge of Fe atom distributed. The results showed that a certain concentration of Cl- could stably adsorb in the anode region of the electrode surface, thereby reducing the concentration of HS-interface and inhibiting the anode reaction of iron. After saturated adsorption of Cl-, the route of iron dissolution reaction changed. At this time, -) ads as adsorption intermediates to promote the anode reaction; Cl - role of the critical concentration of 1mol / L conversion.