ABSTRACT In the study, a systematic study is conducted on the adsorption characteristics of H 2 , H 2 S, and SO 2 by SWCNT (Single‐Walled Carbon Nanotube) and HN‐SWCNT (HN‐ modified SWCNT) under different temperature and pressure conditions. The results indicate that as the temperature rises, the adsorption capacity of SWCNT for H 2 , H 2 S, and SO 2 molecule decreases, from 0.5119 mmol/g(H 2 , 288 K) to 0.2773 mmol/g(H 2 , 318 K), while with the pressure increases, the adsorption capacity of the gas increases, from 0.2166 mmol/g(H 2 , 0.05 MPa) to 1.0417 mmol/g(H 2 , 0.3 MPa), the adsorption characteristics of SWCNT and HN‐SWCNT for H 2 , H 2 S, and SO 2 show the similar laws. The adsorption capacities of SWCNT for H 2 are 0.4262 mmol/g, while the adsorption capacities of HN‐SWCNT for H 2 are 0.2775 mmol/g, the weak adsorption forces between non‐polar molecular H 2 and the polar HN‐SWCNT are responsible for the decrease in adsorption capacity, the adsorption capacities of SWCNT and HN‐SWCNT for polar molecule H 2 S and SO 2 just a slight reduction due to the combined effect of molecular polarity and diffusion kinetics. The differences adsorption properties of H 2 , H 2 S, and SO 2 molecules on SWCNT and HN‐SWCNT, which can be utilized to purify hydrogen H 2 from impurities H 2 S and SO 2 . The research results can provide theoretical guidance for the application of SWCNT in the field of hydrogen purification.
Li et al. (Sun,) studied this question.