Ab Initio Thermodynamic Study of the CO2 Capture Properties of Potassium Carbonate Sesquihydrate, K2CO3路1.5H2O

详细信息    查看全文

• 作者：Yuhua Duan ; David R. Luebke ; Henry W. Pennline ; Bingyun Li ; Michael J. Janik ; J. Woods Halley
• 刊名：The Journal of Physical Chemistry C
• 出版年：2012
• 出版时间：July 12, 2012
• 年：2012
• 卷：116
• 期：27
• 页码：14461-14470
• 全文大小：549K
• 年卷期：v.116,no.27(July 12, 2012)
• ISSN：1932-7455

文摘

By combining density functional theory and lattice phonon dynamics, the thermodynamic properties of CO₂ absorption/desorption reactions with dehydrated potassium carbonates through K₂CO₃路1.5H₂O + CO₂ = 2KHCO₃ + 0.5H₂O(g) are analyzed. The energy change and the chemical potential of this reaction have been calculated and used to evaluate its thermodynamic properties and phase transitions. The results indicate that the K₂CO₃路1.5H₂O can only be applied for postcombustion CO₂ capture technology at temperatures lower than its phase transition temperature, which depends on the CO₂ pressure and the steam pressure with the best range being P_H2O 鈮?1.0 bar. Above the phase transition temperature, the sorbent will be regenerated into anhydrous K₂CO₃. If the steam pressure P_H2O is much greater than 1.0 bar, it is possible to use the K₂CO₃路1.5H₂O sorbent for precombustion CO₂ capture technology. Compared to anhydrous K₂CO₃, K₂CO₃路1.5H₂O requires less energy for regeneration.