含H2S的硫酸溶液中Cl^—对铁阳极溶解的影响

应用电化学动电位扫描方法研究了在含低浓度Ｈ２Ｓ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，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。

EFFECT OF Cl~- ON ANODIC DISSOLUTION OF IRON IN H_2S-CONTAINING SULFURIC ACID SOLUTIONS

The effect of Cl - ion on the anodic dissolution of iron in H 2SO 4 solutions containing low H 2S level has been stdied by electrochemical polarization curve measurements. Meanwhile, the stable adsorption patterns of Cl - and HS - ions on iron surface were determined with CNDO/2 method. Furthermore, the total energy and binding energy of the competitive adsorption between Cl - and HS -ions under the anodic potential as well as the net charge distribution of iron atoms were calculated. The results showed that certain concentration of Cl - ion could adsorb steadily in the anodic regions of electrode surface, reduce the interfacial concentration of HS - ion, and thereby inhibit the anodic reaction of iron. However, when Cl - ions reached saturated adsorption, the reaction courses changed into iron dissoltion promoted by Fe(Cl -) ads . The criticalconcentration of Cl - ion for the action transition was 1 mol/L.