Polymers' surface interactions with molten iron: A theoretical study

- We simulated polyurethane and polysulfide interaction with molten Fe at 1550 °C.
- Both polymers were found to be suitable carburizers for molten iron.
- Results encourage the use of waste plastics as C resources in steelmaking.

Environmental concerns are the chief drive for more innovative recycling techniques for end-of-life polymeric products. One attractive option is taking advantage of C and H content of polymeric waste in steelmaking industry. In this work, we examined the interaction of two high production polymers i.e. polyurethane and polysulfide with molten iron using ab initio molecular dynamics simulation. We demonstrate that both polymers can be used as carburizers for molten iron. Additionally, we found that light weight H2 and CHx molecules were released as by-products of the polymer-molten iron interaction. The outcomes of this study will have applications in the carburization of molten iron during ladle metallurgy and waste plastic injection in electric arc furnace.