(144i) Adsorption of Pfas in Heteroatom-Doped Mesoporous Carbons: Experiment and Simulation

Per- and polyfluoroalkyl substances (PFAS) are class of fluorinated alkyl compounds that includes about 5000 individual compounds. They are ubiquitous and found in a diverse spectrum of industrial and household objects. PFAS have contaminated the water streams of most developed and developing countries and are considered an emerging pollutant. These anthropogenic compounds do not have any natural sources and they are extremely difficult to degrade. There are no known natural occurrences or microbial activity that break down this class of materials. As a result, they are often referred to as ‘forever chemicals’. PFAS bioaccumulates by direct or passive exposure and causes serious illnesses in humans. Adsorption is one of the most promising strategies for removal of PFOS from drinking water and wastewater. In this research fluorine and nitrogen-doped mesoporous carbons were synthesized with different proportions of heteroatoms. These carbons were characterized and the adsorptive removal of perfluorooctane sulfonic acid (PFOS, one type of prominent PFAS) in different water matrices was studied. In addition, molecular dynamics (MD) simulations were performed to calculate thermodynamics parameters of PFOS adsorption. The results confirmed that this carbon demonstrated an excellent removal capacity of PFOS from different types of water matrices compared to the commercially available granular activated carbon (GAC).

Per- and polyfluoroalkyl substances (PFAS) are class of fluorinated alkyl compounds that includes about 5000 individual compounds. They are ubiquitous and found in a diverse spectrum of industrial and household objects. PFAS have contaminated the water streams of most developed and developing countries and are considered an emerging pollutant. These anthropogenic compounds do not have any natural sources and they are extremely difficult to degrade. There are no known natural occurrences or microbial activity that break down this class of materials. As a result, they are often referred to as ‘forever chemicals’. PFAS bioaccumulates by direct or passive exposure and causes serious illnesses in humans. Adsorption is one of the most promising strategies for removal of PFOS from drinking water and wastewater. In this research fluorine and nitrogen-doped mesoporous carbons were synthesized with different proportions of heteroatoms. These carbons were characterized and the adsorptive removal of perfluorooctane sulfonic acid (PFOS, one type of prominent PFAS) in different water matrices was studied. In addition, molecular dynamics (MD) simulations were performed to calculate thermodynamics parameters of PFOS adsorption. The results confirmed that this carbon demonstrated an excellent removal capacity of PFOS from different types of water matrices compared to the commercially available granular activated carbon (GAC).