Prediction of Siloxane Adsorption in Activated Carbons by Molecular Simulation

Prediction of Siloxane Adsorption in Activated Carbons by Molecular Simulation

• Autor
• J. C. Alexandre de Oliveira
• Co-autores
• Yuri M. Mesquita , Pedro. F. G. Silvino , Madson L. Magalhaes , Sebastião M. P. Lucena
• Resumo

• Siloxanes are organosilicon compounds produced from the anaerobic digestion of materials found in domestic sewage and solid waste that contain silicon, such as cosmetics, soaps, and paints. These compounds are also present in biogas generated from landfills and sewage treatment plants. When biogas containing siloxanes is combusted, the siloxanes are converted into silica deposits, which can cause significant damage or failure of equipment. The most commonly used method to remove siloxanes from biogas is adsorption on activated carbon, which effectively retains the siloxane particles, thereby purifying the biogas. In our study, we employed molecular simulation to predict the adsorption capacity of siloxanes on three different activated carbons. Using a methodology based on representative pores, we successfully estimated the adsorption behavior of siloxanes on these carbons. Our predictions achieved an accuracy with an error margin of less than 8%.

• Palavras-chave
• Activated Carbon, Siloxane, Molecular Simulation, Representative pores
• Área Temática
• Modelagem e Simulação