Polymers' surface interactions with molten iron: a theoretical study

TL;DR

This theoretical study uses ab initio molecular dynamics to explore how polyurethane and polysulfide polymers interact with molten iron, revealing their potential as carburizers and identifying by-products relevant to steelmaking.

Contribution

It demonstrates that specific polymers can serve as carburizers in steelmaking and provides insights into the molecular interactions involved.

Findings

Polyurethanes and polysulfides can act as carburizers for molten iron.

Lightweight H2 and CHx molecules are released during interactions.

Potential applications in steelmaking processes like ladle metallurgy.

Abstract

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 H$_2$ and CH$_x$ 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.