Study on the Adsorption Performance of Graphene for One-Component Solvent

Volatile organic compounds (VOCs) emitted in packaging and printing industry mainly are produced from solvent-based ink, adhesives and organic solvent for dilution during printing, drying, compounding and equipment cleaning process. The treatment technology of high concentration solvents includes adsorption recovery technology for single component VOCs and regenerative thermal oxidizer for multi-component solvents, in which the adsorption process is used. Therefore, the performance of adsorption materials is paid more attention. In this paper, graphene was used as the adsorbent, and its structure had a very good adsorption effect, attributing to its very large specific surface area and adjustable pore structure, macromolecular organic pollutants could easily react with the functional groups on the surface of graphene to form compounds with stable chemical performance, so that the organic pollutants could be removed. To explore the adsorption performance of graphene, the adsorption mechanism and the influencing factors of adsorption performance, the models of graphene and ethanol molecule were established based on material studio, and the adsorption simulation was carried out using multiple modules. The adsorption energy and system energy were obtained and the effectiveness of adsorption materials on adsorbate was analyzed. The results showed that adsorption simulation was an effective method to lay a theoretical foundation for the design and application of adsorption materials.