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Experimental and computational approaches of sustainable quaternary bisammonium fluorosurfactants for corrosion inhibition as protective films at mild steel/H2SO4 interface
Colloids and Surfaces A: Physicochemical and Engineering Aspects ( IF 5.2 ) Pub Date : 2021-01-12 , DOI: 10.1016/j.colsurfa.2021.126141
Ahmed H. Tantawy , Kamal A. Soliman , Hany M. Abd El-Lateef

Three novel quaternary bisammonium fluorosurfactants (FGS-4, FGS-6, and FGS-8) were designed and synthesized using furan-2,5-diylbis(methylene) bis(2-bromoacetate) with N-(3-(dimethylamino)propyl)-1,1,2,2,3,3,4,4,4-nonafluoroalkan-1-sulfonamide through a heterocyclic spacer of 3,3'-((furan-2,5-diylbis(methylene))bis(oxy))bis(3-oxopropan-1-ylium) to connect two fluorocarbon tails. Their corrosion protection characteristics of mild steel/1.0 M H2SO4 solution interface at different temperatures were inspected by electrochemical (PDP and EIS) and weight loss measurements. The PDP plots established that the three-quaternary bisammonium fluorosurfactants are mixed-type inhibitors; EIS experiments exhibited that the as-prepared surfactants possess the superior protection capacities of 93.5% (FGS-4), 95.5% (FGS-6), and 96.6% (FGS-8) at the optimum dose of 2.00 mmol L-1. The Adsorption considerations showed that the three additives demonstrated both the physisorption and chemisorption mechanisms and followed the Langmuir model. Surface morphology investigations indicated that the synthesized fluorocarbon surfactants impeded mild steel corrosion. The relationships between the protection performance of the fluorocarbon surfactants, their molecular configurations, and the adsorption mode were checked by DFT calculations and MD simulations, which confirmed that FGS-8 has a higher protection power than FGS-4 and FGS-6. The current investigation exhibited that quaternary bisammonium fluorosurfactants could be used as eco-friendly, economic, and efficient inhibitors for mild steel corrosion with the probable for extensive applications.



中文翻译:

低碳钢/ H 2 SO 4界面上作为保护膜的可持续季铵盐双氟表面活性剂的实验和计算方法

使用呋喃-2,5-二甲基双(亚甲基)双(2-溴乙酸)与N-(3-(二甲基氨基)丙基)设计并合成了三种新型的季双氟表面活性剂(FGS-4,FGS-6和FGS-8) )-1,1,2,2,3,3,3,4,4,4-九氟氟烷-1-磺酰胺通过3,3'-((呋喃-2,5-二基双(亚甲基))bis(氧))双(3-氧代丙烷-1-基)连接两个碳氟化合物尾巴。低碳钢/1.0 MH 2 SO 4的防腐蚀特性通过电化学(PDP和EIS)和失重测量检查溶液在不同温度下的界面。PDP图确定了三季双铵氟表面活性剂是混合型抑制剂。EIS实验表明,在2.00 mmol L -1的最佳剂量下,所制备的表面活性剂具有93.5%(FGS-4),95.5%(FGS-6)和96.6%(FGS-8)的优异保护能力。。吸附方面的考虑表明,这三种添加剂既显示了物理吸附机理,也显示了化学吸附机理,并且遵循Langmuir模型。表面形态研究表明,合成的碳氟化合物表面活性剂阻碍了低碳钢的腐蚀。通过DFT计算和MD模拟检查了氟碳表面活性剂的保护性能,分子结构和吸附模式之间的关系,证实了FGS-8具有比FGS-4和FGS-6更高的保护能力。目前的研究表明,季铵双氟表面活性剂可以用作环保,经济,高效的缓蚀钢腐蚀抑制剂,并且有可能被广泛应用。

更新日期:2021-01-18
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