Industrial & Engineering Chemistry Research, Vol.53, No.10, 3861-3864, 2014
Recycling End-of-Life Polycarbonate in Steelmaking: Ab Initio Study of Carbon Dissolution in Molten Iron
The scarcity of fossil fuels as carbon resources has motivated the steelmaking industry to search for new carbon sources such as end-of-life polymeric products. Using ab initio molecular dynamics simulation, we demonstrate that 41% of polycarbonate's carbon content is readily dissolved in molten iron's interface at T = 1823 K which is comparable to graphite with similar to 58% carbon content dissolution. More importantly, we demonstrate that polycarbonate's hydrogen content does not dissolve in molten iron but rather escapes in gaseous form. Therefore, waste polycarbonate constitutes a feasible carbon source for steelmaking.