Efficient Theoretical Screening of Solid Sorbents for CO2 Capture Applications

作者: Yuhua Duan , David Luebke , Henry Henry Pennline

DOI: 10.4236/IJCCE.2012.11001

关键词: Materials scienceMaterial propertiesSorbentChemical equilibriumAb initioAbsorption (chemistry)ThermodynamicsWork (thermodynamics)MineralogyDensity functional theoryLithium

摘要: … In this case we present the calculated phase diagram of MgO-Mg(OH)2MgCO3 system at different CO2 pressures and at two fixed PH2O values (0.1 and 1.0 bar). From Figure 4 it can …

参考文章(31)
Rentian Xiong, Junichi Ida, Y.S. Lin, Kinetics of carbon dioxide sorption on potassium-doped lithium zirconate Chemical Engineering Science. ,vol. 58, pp. 4377- 4385 ,(2003) , 10.1016/S0009-2509(03)00319-1
Myles R. Allen, David J. Frame, Chris Huntingford, Chris D. Jones, Jason A. Lowe, Malte Meinshausen, Nicolai Meinshausen, Warming caused by cumulative carbon emissions towards the trillionth tonne Nature. ,vol. 458, pp. 1163- 1166 ,(2009) , 10.1038/NATURE08019
K. Parlinski, Z. Q. Li, Y. Kawazoe, First-Principles Determination of the Soft Mode in Cubic ZrO 2 Physical Review Letters. ,vol. 78, pp. 4063- 4066 ,(1997) , 10.1103/PHYSREVLETT.78.4063
Kenji Essaki, Kazuaki Nakagawa, Masahiro Kato, Hideo Uemoto, CO2 Absorption by Lithium Silicate at Room Temperature Journal of Chemical Engineering of Japan. ,vol. 37, pp. 772- 777 ,(2004) , 10.1252/JCEJ.37.772
Douglas Aaron, Costas Tsouris, Separation of CO2 from Flue Gas: A Review Separation Science and Technology. ,vol. 40, pp. 321- 348 ,(2005) , 10.1081/SS-200042244
K. Nakagawa, T. Ohashi, A Novel Method of CO 2 Capture from High Temperature Gases Journal of The Electrochemical Society. ,vol. 145, pp. 1344- 1346 ,(1998) , 10.1149/1.1838462
Yuhua Duan, Bo Zhang, Dan C. Sorescu, J. Karl Johnson, CO2 capture properties of M―C―O―H (M=Li, Na, K) systems: A combined density functional theory and lattice phonon dynamics study Journal of Solid State Chemistry. ,vol. 184, pp. 304- 311 ,(2011) , 10.1016/J.JSSC.2010.12.005