TY - JOUR
T1 - On the application of standard isotherms to hydrogen adsorption in microporous materials
AU - Al-Hajjaj, A.
AU - Zamora, B.
AU - Shah, A. A.
AU - Reguera, E.
AU - Bavykin, D. V.
AU - Walsh, F. C.
N1 - Funding Information:
The authors are grateful to CONACYT, Mexico (scholarship ref. 206949/2009) and the University of Southampton for financial assistance provided to Ms Blanca Zamora in support of a visit to the University of Southampton. The authors also gratefully acknowledge financial support for Mr Abdulwahid Al-Hajjaj (Grant 11532/2008 , The Ministry of Higher Education and Scientific Research, Iraq). This study received the partial support from the project SEP-CONACYT-2009-129048.
PY - 2011/11
Y1 - 2011/11
N2 - A mathematical framework for simulating equilibrium hydrogen adsorption isotherms in porous materials and estimating the values of key parameters associated with the adsorption process is developed. Explicit expressions for the excess, adsorbed, compressed and absolute masses, for any model isotherm, are derived. The modelling framework is used in combination with five standard equilibrium isotherm models to simulateexperimental data for Prussian blue analogues, nitropussides and metal-organic frameworks via nonlinear regression. The surface areas, the affinity and heterogeneity factors, and the pressure-dependent adsorption volumes are calculatedand compared to values available in the literature and the sensitivity of the results to the number of data points is quantified. The consistency of the results using different isotherm models is evaluated.
AB - A mathematical framework for simulating equilibrium hydrogen adsorption isotherms in porous materials and estimating the values of key parameters associated with the adsorption process is developed. Explicit expressions for the excess, adsorbed, compressed and absolute masses, for any model isotherm, are derived. The modelling framework is used in combination with five standard equilibrium isotherm models to simulateexperimental data for Prussian blue analogues, nitropussides and metal-organic frameworks via nonlinear regression. The surface areas, the affinity and heterogeneity factors, and the pressure-dependent adsorption volumes are calculatedand compared to values available in the literature and the sensitivity of the results to the number of data points is quantified. The consistency of the results using different isotherm models is evaluated.
KW - Hydrogen adsorption
KW - Isotherm
KW - Mathematical model
KW - Metal-organic frameworks
KW - Prussian blue analogues
UR - http://www.scopus.com/inward/record.url?scp=80054027961&partnerID=8YFLogxK
U2 - 10.1016/j.ijhydene.2011.07.110
DO - 10.1016/j.ijhydene.2011.07.110
M3 - Artículo
SN - 0360-3199
VL - 36
SP - 14464
EP - 14476
JO - International Journal of Hydrogen Energy
JF - International Journal of Hydrogen Energy
IS - 22
ER -