Introduction
Methanol is one of the most important products
synthesized industrially. The catalyst applied for the
synthesis of methanol is a ternary system containing
copper (Cu), zinc oxide (ZnO), and alumina
(Al
2
O
3
) [1, 2]. Although this catalyst has been used
during the last four decades and in spite of the
importance of methanol synthesis, the nature of the
active site and the mechanism of the methanol synthesis
are still under debate.
The active site is described e.g. as metallic
copper, isolated Cu(I) ions in the ZnO matrix, Cu(I)
species stabilized by Cu–Zn alloys, the Cu/ZnO
interface, or strained copper particles [3–9]. Results
presented by Muhler et al. [10–14] indicate that under
conditions of methanol synthesis copper is
completely reduced to a zero-valent state, the surface
of the metallic copper particles is not covered by
significant amounts of atomic oxygen and strong
metal-support interactions (SMSI) exist between copper
and zinc oxide.
Askgaard et al. [15] presented a detailed kinetic
model for the synthesis of methanol over copper
catalysts based on surface science studies. Following
their model methanol is synthesized from carbon
dioxide only. Adsorbed carbon dioxide is hydrogenated
to methanol and water via formate as stable
intermediate. The model includes the water-gas shift
reaction of carbon monoxide and water. One of the
elementary reaction steps on the copper surface is the
reaction of adsorbed carbon monoxide with adsorbed
atomic oxygen.
Hinrichsen et al. [16] studied the chemisorption
of nitrous oxide (N
2
O) and hydrogen (H
2
) for the
determination of the free copper surface area of
copper catalysts. The authors were able to show that
N
2
O reactive frontal chromatography (N
2
O RFC)
carried out under carefully chosen conditions resulted
in the formation of a complete monolayer of chemisorbed
atomic oxygen without bulk oxidation of copper.
In the present contribution, the surface reaction
of CO with atomic oxygen preadsorbed on the surface
of supported copper particles is studied by adsorption
microcalorimetry and transient kinetics.
Experimental
Samples
The investigated samples are a ternary and a binary
catalyst containing copper, zinc oxide and alumina:
Cu
50
ZnAl and Cu
75
Al. Cu
50
ZnAl is a catalyst of
industrial interest with a nominal content of 50% Cu.
Cu
75
Al is a model catalyst with a Cu content of 75%.
The samples are prepared by coprecipitation
using solutions of nitrates and sodium carbonate,
followed by aging, washing, drying and calcination.
The catalysts are characterized by nitrogen physi-
sorption measurements (BET surface area), temper-
ature-programmed reduction (copper content), and
N
2
O RFC (reduced copper surface area). The prepar-
ation and the characterization of the samples are
described in detail elsewhere [16–18].
Table 1 summarizes the main characteristics of
the used samples.
1388–6150/$20.00 Akadémiai Kiadó, Budapest, Hungary
© 2008 Akadémiai Kiadó, Budapest Springer, Dordrecht, The Netherlands
Journal of Thermal Analysis and Calorimetry, Vol. 91 (2008) 1, 173–179
THE BACK-TITRATION OF CHEMISORBED ATOMIC OXYGEN ON
COPPER BY CARBON MONOXIDE INVESTIGATED BY MICRO-
CALORIMETRY AND TRANSIENT KINETICS
R. Naumann d’Alnoncourt
*
, B. Graf, X. Xia and M. Muhler
Laboratory of Industrial Chemistry, Ruhr-University Bochum, 44780 Bochum, Germany
The back-titration of atomic oxygen chemisorbed on metallic copper using carbon monoxide is investigated by microcalorimetry.
Results from simulations based on a microkinetic model of the back-titration are used for processing of microcalorimetric data. In
addition, surface oxidation of copper by nitrous oxide is investigated by microcalorimetry. The results are compared with results
obtained by nitrous oxide reactive frontal chromatography and by static oxygen adsorption studied by microcalorimetry. The heat
of adsorption of nitrous oxide on copper amounts to 304 kJ mol
–1
, and the heat of adsorption of carbon monoxide on surface-
oxidized copper is in the range from 120 to 70 kJ mol
–1
.
Keywords: adsorption microcalorimetry, carbon monoxide, copper, methanol synthesis, nitrous oxide
* Author for correspondence: raoul@techem.ruhr-uni-bochum.de