Adsorption　removal　of　SO2　using　activated　carbons　has　attracted　enormous　attention　due　to　its　relatively　low　water　consumption　and　environmental　friendliness.　The　physisorption　of　SO2　is　regarded　as　the　prerequisite　step　of　SO2　chemisorption　(i.e.,　SO2　reacting　with　oxygen　and　moisture　in　the　flue　gas).　In　this　study,　a　series　of　carbonaceous　model　adsorbents　(i.e.,　activated　carbons,　ACs)　with　various　pore　hierarchy　degrees　and　similar　surface　chemistry　were　synthesized　by　simply　regulating　the　conditions　of　catalytic　activation.　The　physical　and　chemical　characteristics　of　the　ACs　were　elucidated　by　N2　physisorption,　XPS,　TEM　and　SEM.　Both　dynamic　breakthrough　performances　and　isotherms　of　SO2　adsorption　on　ACs　were　investigated,　presenting　a　negative　correlation　between　pore　hierarchy　and　SO2　saturated　adsorption　capacity.　Compared　with　the　fitting　of　semiempirical　isotherm　models,　classical　molecular　dynamic　(MD)　simulation　can　better　demonstrate　the　spatial　distribution　and　the　local　density　of　SO2　molecules　in　nanopores　of　ACs　with　diameters　＜2　nm.