Progress in the design of molecular structure of amino acid corrosion inhibitors based on molecular orbital theory and their mechanisms: A review

IF 5.2 2区化学 Q2 CHEMISTRY, PHYSICAL Journal of Molecular Liquids Pub Date : 2025-06-01 Epub Date: 2025-03-13 DOI:10.1016/j.molliq.2025.127374

Xin Sun , Hongxiang Xu , Yijun Cao , Jiushuai Deng , Yuntao Kang , Jingzheng Wang , Jiahua Cui

引用次数: 0

Abstract

With the growing emphasis on green chemistry and sustainability, environmentally friendly corrosion inhibitors have gained significant interest. Amino acids, due to their natural origin and strong interactions with metal surfaces via amino and carboxyl groups, are promising alternatives. They offer superior corrosion inhibition efficiency (90%–95% vs. 70%–85%), higher biodegradability (80%–95% vs. 30%–50%), and cost-effectiveness compared to traditional inhibitors. Additionally, they perform well across a broad pH range (3–11) and at elevated temperatures. This review summarizes recent advances in amino acid-based corrosion inhibitors, highlighting their advantages, limitations, structural modifications, and insights from DFT and molecular simulations.

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基于分子轨道理论的氨基酸缓蚀剂分子结构设计及其机理研究进展

随着人们对绿色化学和可持续性的日益重视，环保型缓蚀剂获得了极大的兴趣。氨基酸，由于其天然来源和通过氨基和羧基与金属表面强相互作用，是很有前途的替代品。与传统缓蚀剂相比，它们具有更好的缓蚀效率（90%-95% vs 70%-85%）、更高的生物降解性（80%-95% vs 30%-50%）和成本效益。此外，它们在较宽的pH范围（3-11）和高温下都表现良好。本文综述了氨基酸基缓蚀剂的最新进展，重点介绍了它们的优点、局限性、结构修饰以及从DFT和分子模拟中获得的见解。

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

Journal of Molecular Liquids 化学-物理：原子、分子和化学物理

CiteScore

10.30

自引率

16.70%

发文量

2597

审稿时长

78 days

期刊介绍： The journal includes papers in the following areas: – Simple organic liquids and mixtures – Ionic liquids – Surfactant solutions (including micelles and vesicles) and liquid interfaces – Colloidal solutions and nanoparticles – Thermotropic and lyotropic liquid crystals – Ferrofluids – Water, aqueous solutions and other hydrogen-bonded liquids – Lubricants, polymer solutions and melts – Molten metals and salts – Phase transitions and critical phenomena in liquids and confined fluids – Self assembly in complex liquids.– Biomolecules in solution The emphasis is on the molecular (or microscopic) understanding of particular liquids or liquid systems, especially concerning structure, dynamics and intermolecular forces. The experimental techniques used may include: – Conventional spectroscopy (mid-IR and far-IR, Raman, NMR, etc.) – Non-linear optics and time resolved spectroscopy (psec, fsec, asec, ISRS, etc.) – Light scattering (Rayleigh, Brillouin, PCS, etc.) – Dielectric relaxation – X-ray and neutron scattering and diffraction. Experimental studies, computer simulations (MD or MC) and analytical theory will be considered for publication; papers just reporting experimental results that do not contribute to the understanding of the fundamentals of molecular and ionic liquids will not be accepted. Only papers of a non-routine nature and advancing the field will be considered for publication.