Exploration of the Ocimum americanum extract as a novel pickling agent for steel in sulfuric acid medium: electrochemical, surface modification, DFT, and MC simulation studies

IF 2.8 3区物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY

The European Physical Journal Plus Pub Date : 2025-05-20 DOI:10.1140/epjp/s13360-025-06376-z

Abhishek Sharma, Akhil Saxena, Jasdeep Kaur, Vishal Mutreja, Krishna Kumar Yadav, Ahmad J. Obaidullah, Dakeshwar Kumar Verma, Konstantin P. Katin, Elyor Berdimurodov

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Abstract

The present study investigates the acid pickling nature of the Ocimum americanum extract (OAE) an acidic media. Corrosion is a common problem in industrial applications; therefore, the study intends to minimize corrosion by exploiting the OAE’s natural advantages as an environmentally benign alternative to standard inhibitors. The ability of the OAE was assessed utilizing a variety of methods. The anti-corrosive behavior of the OAE was tested using the linear polarization and impedance methods. The maximum efficacy of 92.93% is observed at 2000 ppm concentration of the OAE. It is identified that the OAE adsorbs on the mild steel surface, preventing corrosive assault in acidic environments due to morphological alterations, functional groups, and a combination of both physisorption and chemisorption. Apart from the electrochemical and surface analysis, the DFT and MC simulation confirm the effectiveness of the OAE as a pickling agent in sulfuric acid medium..

Graphical abstract

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在硫酸介质中作为新型钢酸洗剂的美洲茴香提取物的探索：电化学、表面改性、DFT和MC模拟研究

本文研究了美洲洋槐提取物（OAE）在酸性介质中的酸洗特性。腐蚀是工业应用中的常见问题；因此，该研究旨在利用OAE作为标准抑制剂的环保替代品的天然优势，最大限度地减少腐蚀。使用多种方法评估OAE的能力。采用线极化和阻抗法对OAE的防腐性能进行了测试。在OAE浓度为2000 ppm时，效果达到92.93%。结果表明，由于形态改变、官能团改变以及物理吸附和化学吸附的共同作用，OAE吸附在低碳钢表面，在酸性环境中防止腐蚀侵蚀。除了电化学和表面分析外，DFT和MC模拟也证实了OAE在硫酸介质中作为酸洗剂的有效性

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

The European Physical Journal Plus PHYSICS, MULTIDISCIPLINARY-

CiteScore

5.40

自引率

8.80%

发文量

1150

审稿时长

4-8 weeks

期刊介绍： The aims of this peer-reviewed online journal are to distribute and archive all relevant material required to document, assess, validate and reconstruct in detail the body of knowledge in the physical and related sciences. The scope of EPJ Plus encompasses a broad landscape of fields and disciplines in the physical and related sciences - such as covered by the topical EPJ journals and with the explicit addition of geophysics, astrophysics, general relativity and cosmology, mathematical and quantum physics, classical and fluid mechanics, accelerator and medical physics, as well as physics techniques applied to any other topics, including energy, environment and cultural heritage.