Interactions of graphene with oxidants in a mixed atmosphere: synergistic effects of O2/H2O and O2/CO2 on gasification reactivity and kinetics.

The gasification of carbon with O2, CO2, and H2O oxidants plays an important role in several energy-based applications. As most of the industrial gasification processes are conducted under mixed-atmosphere conditions, the oxidation of carbon in binary oxidant mixtures becomes crucially important. Using reactive force-field (ReaxFF) potentials, extensive MD simulations were carried out on the oxidation behavior of graphene in mixed O2/H2O and O2/CO2 environments for a range of gas compositions and temperatures. A graphene sheet with a line defect comprising of eight and four-membered rings was used as the starting carbon structure. In addition to enhanced carbon gasification with oxygen additions, MD simulations showed synergistic interactions between different oxidants and their net influence on the overall reactivities. The gasification levels achieved under the binary system were higher than the linear combination of contributions from individual oxidants. The addition of ∼40% O2 in the binary mix was identified as the region with the highest reactivity during the initial stages of gasification. The oxidation reactions with oxygen were found to start instantaneously in the presence of H2O or CO2 instead of the usual initial delay. A very fast reaction kinetics was also observed in the initial stages in the presence of oxygen. Our results show that the gasification reactions under H2O and CO2 started at lower temperatures than O2 thereby creating a partially oxidized structure. Due to the presence of a large number of activation sites, very high rates of gasification were achieved with oxygen. These findings could help identify optimal oxidant compositions towards maximizing carbon gasification and minimizing CO2 emissions.

A review of the current environmental challenges of the steel industry and its value chain.

The steel industry is the largest consumer of energy in the world among industrial sectors. It is generally acknowledged that energy and environment are intimately related. Steel production is an energy intensive process that has a significant environmental impact. This paper reviews the progress made on energy consumption, carbon dioxide emissions and water consumption in the steel industry worldwide. The reduction in the availability of fresh water resources combined with the effects of global warming and climate change have increased pressure on industries, especially steel, to reduce its overall pollution, and specifically its water and carbon footprint. The implications of these effects on the value chain is discussed in this review. The contribution of new emerging technologies of iron and steelmaking is also reviewed. Finally, the important issues that contribute to define a sustainable industrial activity such as the recycling of steel and of by-products of steel production are studied. The history of steel industry is full of lessons, one of which is the need to keep the dreams alive. There are indeed expectations to solve problems created by technical progress.