对称球型酞菁锌在 1.0 M HCl 中对铝的耐酸活化腐蚀性能。

IF 4.3 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY BMC Chemistry Pub Date : 2024-07-08 DOI:10.1186/s13065-024-01236-w
Najah F. H. Alrasheedi, Ismail Abdulazeez, Shamsuddeen A. Haladu, Mohammed A. Gondal, Khaled M. AlAqad, Salwa J. Kamal, Salha N. Alharthi, Asma M. Elsharif
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引用次数: 0

摘要

通过电化学技术分析了对称球型锌酞菁对 1mol/L 盐酸中的铝的抑制作用。通过傅立叶变换红外光谱、核磁共振(1H NMR 和 13C NMR)、MALDI-TOF MS 和吸收光谱(UV-Vis),合成并验证了一种新型球型锌酞菁(Zn-Pc)抑制剂。此外,还采用了激光诱导击穿光谱和光致发光光谱进行额外研究。采用失重技术研究了合成的 Zn-Pc 在变化温度(293-333 K)范围内 1mol/L 盐酸中对铝的缓蚀效果。Zn-Pc 的抑制效率随着 Zn-Pc 浓度的增加而增加,随着温度的升高而降低。Zn-Pc 铝在 1mol/L 盐酸中的实验数据符合 Langmuir 吸附等温线。此外,还测定了腐蚀体系的热力学参数和活化能。本研究采用密度泛函理论方法进行了量子化学计算。这些计算在阐明分子结构和反应模式方面发挥了关键作用。通过 DFT,计算出了许多反应性指标,为研究化合物的化学行为提供了宝贵的见解。这些指标,如前沿分子轨道、电子密度和分子静电势,随后与实验数据进行了关联。
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Corrosion resistance of aluminum against acid activation in 1.0 M HCl by symmetrical ball − type zinc phthalocyanine

The inhibition effect of symmetrical Ball − type Zinc Phthalocyanine on Aluminum in 1mol/L hydrochloric acid was analyzed by electrochemical techniques. A novel ball-type zinc phthalocyanine (Zn-Pc) inhibitor has been synthesized and verified utilizing FTIR, nuclear magnetic resonance (1H NMR and 13C NMR), MALDI-TOF MS, and absorption spectroscopy (UV-Vis). In addition, laser-induced breakdown and photoluminescence spectroscopy were employed for additional study. Weight loss technique was employed to investigate the corrosion inhibition effectiveness of the synthesized Zn-Pc on Aluminum in 1mol/L hydrochloric acid at the range of variation temperatures (293–333 K). The inhibition efficiency of Zn-Pc increased with higher concentrations of Zn-Pc and decreased as the temperature increased. Furthermore, Zn-Pc demonstrated outstanding outcomes, achieving 72.9% at a very low inhibitor concentration (0.4 mmol/L) at 298 K. The experimental data for Zn-Pc Aluminum in 1mol/L hydrochloric acid obeys the Langmuir adsorption isotherm. Moreover, the corrosion system’s thermodynamic parameters and activation energy were determined. Quantum chemical calculations applying the (DFT) Density Functional Theory method was conducted and applied in this study. These calculations played a pivotal role in elucidating molecular structures and reactivity patterns. Through DFT, numerous reactivity indicators were computed, providing valuable insights into the chemical behavior of the studied compounds. These indicators, such as frontier molecular orbitals, electron density, and molecular electrostatic potential, were subsequently correlated with experimental data.

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来源期刊
BMC Chemistry
BMC Chemistry Chemistry-General Chemistry
CiteScore
5.30
自引率
2.20%
发文量
92
审稿时长
27 weeks
期刊介绍: BMC Chemistry, formerly known as Chemistry Central Journal, is now part of the BMC series journals family. Chemistry Central Journal has served the chemistry community as a trusted open access resource for more than 10 years – and we are delighted to announce the next step on its journey. In January 2019 the journal has been renamed BMC Chemistry and now strengthens the BMC series footprint in the physical sciences by publishing quality articles and by pushing the boundaries of open chemistry.
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