| 학회 |
한국화학공학회 |
| 학술대회 |
2015년 가을 (10/21 ~ 10/23, 일산 KINTEX) |
| 권호 |
21권 2호, p.1452 |
| 발표분야 |
고분자 |
| 제목 |
Molecular Simulation of Gas Permeability of EPE(PEO-PPO-PEO) Triblock Copolymer Membrane |
| 초록 |
Molecular simulations were conducted on membrane system that consists of EPE(PEO-PPO-PEO) triblock copolymers with different polyethylene oxide(PEO) wt% for CO2/N2 separation. Diffusivity terms were computed using molecular dynamics (MD) simulations and solubility terms using grand canonical Monte Carlo (GCMC) simulations. The simulation results indicate that the permeability and the selectivity of CO2/N2 within the EPE system agree well with the experimental data. There is an abrupt increase in the CO2 permeability as PEO content goes to zero due to the structural transformation of the polymer system that enhances diffusion. Finally, the lengths of the polymers were changed to see the effect on the properties of our system. |
| 저자 |
김지한, 임성갑, 유영민, 김지연, 권오민
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| 소속 |
한국과학기술원 생명화학공학과 |
| 키워드 |
simulation; membrane; permeability; EPE triblock copolymer; carbon dioxide; nitrogen
|
| E-Mail |
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| 원문파일 |
초록 보기 |
