TY - JOUR
T1 - A quantitative investigation of the structure of Raney-Ni catalyst material using both computer simulation and experimental measurements
AU - Barnard, N.C.
AU - Brown, S.G.R.
AU - Devred, F.
AU - Bakker, J.W.
AU - Nieuwenhuys, B.E.
AU - Adkins, N.J.
N1 - Copyright 2011 Elsevier B.V., All rights reserved.
PY - 2011/7/25
Y1 - 2011/7/25
N2 - This paper describes combined experimental techniques and numerical modelling of the surface condition of activated nanoscopic Raney-nickel catalysts produced via leaching of spray-atomised NiAl precursor powders. Results of off-lattice Metropolis and lattice kinetic Monte Carlo models compare favourably to experimentation quantifying the surface of Raney-nickel catalysts in terms of both surface area and the surface distribution of residual aluminium left over from the leaching process. Predicted surface areas from the kinetic Monte Carlo simulations are shown to be in good agreement with BET measurements from nitrogen physisorption for catalyst materials prepared from two different NiAl precursor alloys. Surface aluminium concentrations predicted by Metropolis Monte Carlo simulations are also in agreement with X-ray photoelectron spectroscopy results and in addition predict an absence of Al-Al bonding at the surface.
AB - This paper describes combined experimental techniques and numerical modelling of the surface condition of activated nanoscopic Raney-nickel catalysts produced via leaching of spray-atomised NiAl precursor powders. Results of off-lattice Metropolis and lattice kinetic Monte Carlo models compare favourably to experimentation quantifying the surface of Raney-nickel catalysts in terms of both surface area and the surface distribution of residual aluminium left over from the leaching process. Predicted surface areas from the kinetic Monte Carlo simulations are shown to be in good agreement with BET measurements from nitrogen physisorption for catalyst materials prepared from two different NiAl precursor alloys. Surface aluminium concentrations predicted by Metropolis Monte Carlo simulations are also in agreement with X-ray photoelectron spectroscopy results and in addition predict an absence of Al-Al bonding at the surface.
UR - http://www.scopus.com/inward/record.url?partnerID=yv4JPVwI&eid=2-s2.0-79960271798&md5=6ea125b83a4e240c61a398e8e3c6b5e5
U2 - 10.1016/j.jcat.2011.05.010
DO - 10.1016/j.jcat.2011.05.010
M3 - Article
AN - SCOPUS:79960271798
SN - 0021-9517
VL - 281
SP - 300
EP - 308
JO - Journal of Catalysis
JF - Journal of Catalysis
IS - 2
ER -