NINGBO INNO PHARMCHEM CO.,LTD. is committed to leveraging the full spectrum of scientific inquiry to develop advanced chemical solutions. Our recent research into DAMP, a novel organophosphorus derivative, highlights the crucial contribution of quantum chemical study of corrosion inhibitors to understanding and optimizing their performance. Specifically, these calculations have shed light on how DAMP's molecular structure enhances its ability to protect copper in acidic environments.

Corrosion is an electrochemical process influenced by molecular interactions at the metal surface. Quantum chemistry provides a powerful lens through which to view these interactions, predicting molecular properties such as electron density distribution, frontier orbital energies (HOMO and LUMO), and dipole moments. These parameters are direct indicators of a molecule's potential to adsorb onto a metal surface and inhibit corrosion.

Our studies confirmed that DAMP possesses a favorable electronic structure, characterized by high electron density on its heteroatoms (N, O, P) and aromatic rings. This distribution facilitates strong interaction with the copper surface, a key aspect of its function as a copper corrosion inhibitor in acid. The effect of inhibitor concentration on corrosion rate is directly correlated with the degree of surface coverage, which is dictated by these molecular interactions.

The research also validated the findings from experimental methods like SEM EDX analysis of corrosion inhibitor and FTIR analysis of organophosphorus inhibitor by correlating them with theoretical predictions. The strong correlation between theoretical quantum chemical parameters and experimentally observed inhibition efficiencies underscores the reliability of this approach. At NINGBO INNO PHARMCHEM CO.,LTD., we integrate these advanced computational techniques to design and deliver high-performance chemicals that offer superior material protection.