Molecular simulation-guided precision design of biomass-based porous carbons with tailored ultramicropores for superior VOCs adsorption from flue gas

Key Points

• Superior VOCs adsorption achieved through tailored ultramicropores enhances efficiency in flue gas treatment.
• Adsorption studies show that the optimized porous carbons increase removal rates of VOCs significantly, achieving over 90% in some cases.
• Molecular simulation-guided design allows for precise tuning of carbon structures for effective pollutant capture.
• These advancements highlight potential in addressing air quality issues and reducing industrial emissions.