Methods and systems for screening and design of corrosion inhibitors
US12354711B2 · kind B2 · utility
Assignee
Inventors
Key dates
| Filing date | Jan 27, 2023 |
| Grant date | Jul 8, 2025 |
| Priority date | — |
| Expiry date | Mar 21, 2044 |
Classification
- Technology area (CPC G)Physics
- CPC primaryG16C20/30
- WIPO fieldComputer technology
- WIPO sectorElectrical engineering
Abstract
This disclosure relates generally to methods and systems for screening and design of corrosion inhibitors. Conventional techniques in the art for predicting the inhibition efficiency of the molecule are not so accurate, where the inhibition efficiency is one of the important parameter for screening and design of corrosion inhibitors. In the present disclosure, the IE prediction model is developed by training a multi-task network model using the molecular descriptors of different classes of the molecules, and also the experimental conditions of the molecule. Further, a unique screening technique is disclosed that screens the molecules using various parameters including the inhibition efficiency of the molecule, an energy gap of the molecule, a synergistic effect of the molecules and an interaction energy of the molecules. Further the present disclosure allows to design a new molecule by making changes to the molecules that suits based on the end applications.
Source: USPTO / EPO open patent data. Objective bibliographic and citation counts.