| 학회 |
한국화학공학회 |
| 학술대회 |
2016년 가을 (10/19 ~ 10/21, 대전컨벤션센터) |
| 권호 |
22권 2호, p.1737 |
| 발표분야 |
분리기술 |
| 제목 |
Molecular Dynamics Simulations of Viscosity Evolution of Aqueous Amine CO2 Capture Solutions: Monoethanolamine versus Piperazine |
| 초록 |
Chemical absorption of CO2 by aqueous amine solutions is currently the most mature technology to capture CO2 from post-combustion flue gases. A density-functional-theory-based fast virtual screening of the CO2-capture performance has been developed for various aqueous amine solutions such as monoethanolamine (MEA) and piperazine (PZ). An important issue in developing high-performance amine solutions for CO2 capture is that the viscosity of amine solutions containing PZ increases rapidly with the CO2 loading. A new design of a fast-CO2-absorbing component as fast as PZ but not as viscous as PZ is therefore desirable. For this purpose, using molecular dynamics simulations combined with Green-Kudo (GK) and Stokes-Einstein (SE) equations, we compute the transport behavior (viscosity and diffusivity) of aqueous PZ solution as a function of CO2 loading at different conditions and compare our findings to the experimental data. The calculation indicates that the SE method predicts lower viscosities than the GK method. The CO2-loading-dependent viscosities calculated with the GK method reproduce the experiments. |
| 저자 |
유택희1, Wei Cui1, Yves Lansac2, 장윤희3
|
| 소속 |
1광주과학기술원, 2Université François Rabelais, 3대구경북과학기술원 |
| 키워드 |
흡수 |
| E-Mail |
|
| 원문파일 |
초록 보기 |
