Abstract
Nonequilibrium molecular dynamics simulations are employed to study the adsorption and blockage properties of a 3D graphene membrane. Specifically, we are interested in the mixtures of carbon dioxide (CO2) and sulfur dioxide (SO2), two of the most relevant pollutant gases for the anthropogenic effect in global warming. We simulate cases with distinct proportion of gases in the mixture. Our results indicate that the 3D graphene slit is able to absorb 90% or more of the gas molecules. We show that this property came from the fact that both CO2 and SO2 molecules are attracted by the graphene pore, which compensates for the entropic barrier that exists when leaving the bulk state to the confined state. Also, the simulation results show that changing the interlayer separation between the graphene sheets is possible in order to change the membrane properties, from absorbent to blockage. These results help to understand the properties of 3D graphene nanoslits and their application as highly selective filters.
Highlights
The demand for clean energy and global warming stand among the major challenges of our time and require extensive investigation towards technological advances
In order to better understand this subject, in this paper, we study the adsorbing properties of a 3D porous graphene membrane when a CO2 and SO2 mixture is pushed through the membrane by an external pressure-driven force
In the coal-based industry, it is complicated to separate the carbon from the sulfur dioxide coming from the burning fossil fuel
Summary
The demand for clean energy and global warming stand among the major challenges of our time and require extensive investigation towards technological advances. While renewable energy often demands massive investments, coal is the least expensive and widespread fossil fuel across the globe, specially in developing countries [1]. On the other hand, burning coal in electric power plants is a major source of carbon dioxide (CO2) emissions [2]. Even after the combustion gases have passed through macroscopically refined membranes before exiting the smokestack, they contain oxides of nitrogen and sulfur dioxide that lead to smog and acid rain [3]. Reducing the coal-derived emissions, such as CO2 and SO2, is, timely and environmentally imperative. The capture of gases such as CO2 and SO2 is critical for the control and reduction of emissions of pollutant gases
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