화학공학소재연구정보센터
학회 한국공업화학회
학술대회 2019년 봄 (05/01 ~ 05/03, 부산 벡스코(BEXCO))
권호 23권 1호
발표분야 환경·에너지_포스터
제목 A new approach based on DFT pore volumes of carbon materials to define contribution of pore size to hydrogen physisorption with pressure and temperature
초록 Recently, many researchers have focused on the development of porous materials for hydrogen (H2) storage media. In case of hydrogen (H2) physisorption, subnanometer micropores of less than 1 nm are known for their excellent performances, but their exact contribution and temperature-dependent adsorption performance are still ambiguous. Until now, many adsorption models including Langmuir, Freundlich, and Toth have been proposedbefore, however, they could not contain the porosity of the materials, so there is still a difficulty in revealing the correlation between porosity and adsorption performance. We have proposed a new model based on DFT pore volumes to investigate the ambiguous correlation between H2 adsorption and micropores. Our approach is a completely different approach from the conventional adsorption models and enables the analysis of the physisorption behavior of the gases by applying the porosity of the materials.
저자 허영정, 박수진
소속 인하대
키워드 Hydrogen adsorption; DFT pore volume; Micropore size
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