论文标题
在钢制造中回收寿命末期聚碳酸酯；美元
Recycling End-of-life Polycarbonate in Steelmaking; $\textit{Ab Initio}$ Study of Carbon Dissolution in Molten Iron
论文作者
论文摘要
作为碳资源，化石燃料的稀缺性促使钢铁行业寻找新的碳源，例如生命终止聚合物产品。使用$ \ textit {ab intio} $分子动力学模拟，我们证明了41％的聚碳酸酯碳含量很容易溶解在熔融铁的界面中，$ t $ = 1823 K，与$ \ sim $ \ sim $ 58％$ 58％的碳含量溶解相当。更重要的是，我们证明了聚碳酸酯的氢含量不会溶于熔融铁中，而是以气态形式逸出。因此，废物聚碳酸酯构成了钢材制造的可行碳源。
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 $\textit{ab initio}$ 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 $\sim$ 58% carbon content dissolution. More importantly, we demonstrate that polycarbonate's hydrogen content does not dissolve in molten iron but rather escape in gaseous form. Therefore, waste polycarbonate constitutes a feasible carbon source for steelmaking.
