Concepedia

Elucidating the mechanisms of novel thiazole-based corrosion inhibitors in carbon steel/HCl interface: An integrated approach combining experimental and computational studies

Mariyam En-Nyly, S. Skal, Yasmina El Aoufir, H. Serrar, Hassane Lgaz, O. Benali, Taoufiq Guedira, Han‐Seung Lee

Journal of Molecular Structure · 2024 · 18 citations · 62 references

Concepts

Materials ScienceInorganic ChemistryChemical EngineeringIntegrated ApproachEngineeringCorrosion ProtectionCorrosionComputational StudiesCarbon Steel/hcl InterfaceChemistryCorrosion ResistanceCorrosion Inhibition

References

62

From molecules to solids with the DMol3 approach

B. Delley · The Journal of Chemical Physics · 2000 · 10.7K citations · Full text

Engineering, Theoretical Inorganic Chemistry, Dmol3 Approach +20

Determination of effective capacitance and film thickness from constant-phase-element parameters

Bryan Hirschorn, Mark E. Orazem, Bernard Tribollet et al. · Electrochimica Acta · 2009 · 2.4K citations

Materials Science, Materials Engineering, Electrical Engineering +11

Density functional theory (DFT) as a powerful tool for designing new organic corrosion inhibitors. Part 1: An overview

I.B. Obot, Digby D. Macdonald, Zuhair M. Gasem · Corrosion Science · 2015 · 1.2K citations

Materials Science, Chemical Engineering, Engineering +10

Investigation of adsorption and inhibitive effect of 2-mercaptothiazoline on corrosion of mild steel in hydrochloric acid media

Ramazan Solmaz, Gülfeza Kardaş, Mustafa Çulha et al. · Electrochimica Acta · 2008 · 853 citations

Chemical Engineering, Inhibitive Effect, Engineering +10

COSMO-RS, From Quantum Chemistry to Fluid Phase Thermodynamics and Drug Design

Pluton Pullumbi · AIChE Journal · 2006 · 751 citations

Thermodynamic Modelling, Engineering, Physics +13