MIL-101 was synthesized by hydrothermal method.The fixed bed was employed to carry out the dynamic adsorption experiments for dimethyl sulfide,ethyl mercaptan and hydrogen sulfide at ambient temperature.The sulfuretted samples were characterized by XRD and TG-MS techniques.The density functional theory was used to calculate the adsorption energies of three sulfides over the MIL-101. It was found that the adsorption capacity is m(S)/m(MOFs)=24.2 mg/g, m(S)/m(MOFs)=14.9 mg/g and m(S)/m(MOFs)=5.8 mg/g for dimethyl sulfide, ethyl mercaptan and hydrogen sulfide, respectively. The framework of MIL-101 was not damaged after breakthrough experiments.Results show that dimethyl sulfide was adsorbed on the MIL-101 in its molecular form,whereas hydrogen sulfide could react with MIL-101.The theoretical calculation demonstrated that coordinatively unsaturated metal site(CUS)is the main position to adsorb sulfide,and the average adsorption energies over CUS of MIL-101 weaken with the increased number of sulfide.The adsorption sequence over CUS is CH3SCH3,CH3CH2 SH,H2S,which is coincidence with the order of sulfur capacity obtained from experiment results.