The corrosion inhibition of cold rolled steel(CRS) in 7.0 mol·L^(-1) H_2 SO_4 solution by red tetrazolium(RTZ) was carefully investigated using both experimental procedures and theoretical techniques. The results show that RTZ acts as an effective inhibitor for the corrosion of CRS in 7.0 mol·L^(-1) H_2SO_4, and the maximum inhibition efficiency is higher than 95% with a RTZ concentration of 2.0 mmol·L^(-1). The adsorption of RTZ on CRS surface follows Langmuir isotherm. RTZ effectively retards both cathodic and anodic reactions, and acts as a mixed-type inhibitor. EIS exhibits two capacitive loops, and their resistances increase drastically in the presence of RTZ. SEM and AFM confirm that the addition of RTZ could significantly retard the corrosion of CRS surface. A series of characterizations like FTIR, RS, XRD and XPS reveal that the corrosion CRS surface is composed of the corrosion products of iron sulfates, iron oxides and iron hydroxide, as well as inhibitor. Theoretical results of quantum chemical calculation and molecular dynamics(MD) indicate that the adsorption center of RTZ+(organic cationic part of RTZ) mainly relies on its tetrazole ring,and the adsorption of RTZ+on Fe(001) surface is in a nearly flat orientation mode.
采用失重法、动电位极化曲线、电化学阻抗谱(EIS)、量子化学计算研究了两种嘧啶衍生物(2-羟基嘧啶(HP)和2-巯基嘧啶(MP))在1.0 5.0 mol L 1HCl溶液中对冷轧钢(CRS)的缓蚀作用.结果表明:HP和MP在1.0 mol L 1HCl溶液中对冷轧钢具有良好的缓蚀作用,且在钢表面的吸附符合Langmuir吸附等温式.缓蚀率随缓蚀剂浓度的增加而增大,但随盐酸浓度的增加而减小.求出了相应的吸附热力学参数(吸附平衡常数(K),吸附自由能(ΔG0))和腐蚀动力学参数(表观活化能(Ea)、指前因子(A)、腐蚀速率常数(k)、动力学常数(B)),并根据这些参数讨论了缓蚀作用机理.动电位极化曲线表明,MP和HP均为混合抑制型缓蚀剂;EIS谱呈单一容抗弧,电荷转移电阻随缓蚀剂浓度的增加而增大.两种嘧啶化合物的缓蚀率排序为MP>HP.量子化学计算结果表明,MP比HP更具吸附活性,缓蚀性能的理论计算和实验结果相一致.
