Glycerol and malonic acid as corrosion inhibitors seen through the density functional theory perspective

Glycerol (G) is the major co-product in transesterification process of biodiesel. As clean energy demand increases, production G also increases and new ways re-using it are needed. In last decade, some experimental studies claimed that its derivative, malonic acid (MA), could be used as corrosion inhibitors. Yet, presently, there little evidence more needed to confirm MA have a good performance metal protection. The present work aims study reactivity MA, since inhibition intimately linked. density functional theory (DFT) at B3YLP/6-31G** level was both molecules. global local quantum parameters derived were assess Analysis calculated descriptors suggest should exhibit an acceptable efficiency, but showed greater potential inhibitor.