The influence of the functional group on activated carbon for acetone adsorption property by molecular simulation study

1)Trace acetone in indoor air (10ppmv) is mainly adsorbed in graphitic pore with 1.0nm pore width. 2)Functional groups especially carboxyl or hydroxyl in micro pores, which has electrostatic interactions with acetone molecule, greatly increase adsorption amount of trace acetone (10ppm). 3)Adsorption amount of acetone in pores is determined by isosteric heat and available adsorption sites on pore wall.283