Ballinas-Indili Ricardo, Roncagliolo-Barrera Paola, Salcedo Roberto, Rodríguez-Gómez Francisco J, Álvarez-Toledano Cecilio
Departamento de Ciencias Químicas, Facultad de Estudios Superiores Cuautitlán Campo 1, Universidad Nacional Autónoma de México, Estado de México 54740, México.
Departamento de Ingeniería Metalúrgica, Facultad de Química, Ciudad Universitaria, Ciudad de México 04510, México.
ACS Omega. 2025 May 20;10(21):21147-21161. doi: 10.1021/acsomega.4c09705. eCollection 2025 Jun 3.
This study explores the ultrasound-assisted synthesis of three 2-benzylidene-1-indanone derivatives and assesses their effectiveness as corrosion inhibitors for mild steel AISI 1018 in 1 M HCl through electrochemical techniques and density functional theory (DFT) quantum chemical calculations. The results indicate that the inhibitors studied; specifically IND-1, (Z)-2-(hydroxy-(phenyl)-methylene)-2,3-dihydro-1H-inden-1-one; IND-2, (Z)-2-(hydroxy-(pyridine-3-yl)-methylene)-2,3-dihydro-1H-inden-1-one and IND-3, (Z)-2-((4-(dimethylamino)-phenyl)-(hydroxy)-methylene)-2,3-dihydro-1H-inden-1-one, modified the cathodic reaction mechanism. These inhibitors achieve efficiencies greater than 98%, and their inhibitory effect does not increase with higher concentrations. A comparison of computational predictions and experimental analyses indicates that the pyridine ring and the diethylamino group reduce the inhibitory capacity of carbon steel in acidic environments.
本研究探索了三种2-亚苄基-1-茚满酮衍生物的超声辅助合成,并通过电化学技术和密度泛函理论(DFT)量子化学计算评估了它们作为AISI 1018低碳钢在1 M盐酸中的缓蚀剂的有效性。结果表明,所研究的抑制剂;具体为IND-1,(Z)-2-(羟基-(苯基)-亚甲基)-2,3-二氢-1H-茚-1-酮;IND-2,(Z)-2-(羟基-(吡啶-3-基)-亚甲基)-2,3-二氢-1H-茚-1-酮和IND-3,(Z)-2-((4-(二甲基氨基)-苯基)-(羟基)-亚甲基)-2,3-二氢-1H-茚-1-酮,改变了阴极反应机理。这些抑制剂的效率大于98%,且其抑制效果不会随浓度升高而增加。计算预测与实验分析的比较表明,吡啶环和二乙氨基降低了碳钢在酸性环境中的抑制能力。