Chemical Engineering Science 54 (1999) 4295}4304

Monte-Carlo methods for simulating the catalytic oxidative

dehydrogenation of propane over VMgO catalyst
Yves Boudeville 
*, Max Kolb 
, Amalia Pantazidis , Carlos Marquez-Alvarez ,
Claude Mirodatos , Vladimir Elokhin
Institut de Recherches sur la Catalyse, CNRS, 2, Avenue Albert Einstein, F-69626 Villeurbanne Ce& dex, France

Ecole Normale Supe& rieure, ENS/Lyon. Laboratoire de Chimie The& orique, 46 Alle& e d'Italie, F69364 Lyon Ce& dex 07, France
Boreskov Institute of Catalysis, Pr. Ak. Lavrentyeva, 5 630090 Novosibirsk, Russia

Abstract

The oxidative dehydrogenation of propane (ODHP) has been extensively studied by non-steady-state kinetic experiments and by
various experimental characterization techniques under conditions as close as possible to reaction conditions. It can be described in
terms of the Mars}Van Krevelen mechanism. This work reports on Monte-Carlo simulations of the ODHP over VMgO catalysts,
aimed at relating the main experimental insights obtained previously on the catalytic reaction to a theoretical description of the
working catalyst. The `theoretical "eld of catalysisa is explored by handling new Monte-Carlo models with a catalytic reaction graph,
2D pattern recognition of adsorbed molecules, 3D oxygen bulk di!usion and "nally the description of the selective, non-selective
routes of the ODHP process.  1999 Elsevier Science Ltd. All rights reserved.

Keywords: Monte-Carlo simulation; Oxidative dehydrogenation of propane; Pattern recognition; Mars}Van Krevelen mechanism; VMgO catalyst

1. Introduction pressures ratio of reagents as a macroscopic variable on

Monte-Carlo methods are involved in the description
of non-linear dynamic e!ects in catalytic heterogeneous
or homo-heterogeneous reactions. The simplest model-
ling uses the Zi!, Gulari Barshad Monte-Carlo method
with one reaction A(surf)#B(surf)}Pt[1 0 0](single crys-
tal)PAB(gas) (Zi! et al., 1986). The Zi! scheme is a pure
mathematical one (everything that can happen happens;
it is a `boolean lawa, if two things can happen, each will
be with probability of one half etc.) but the main features
of surface adsorption of reactants, desorption of prod-
ucts, reactions are treated with a surprisingly good suc-
cess, since the mathematical topology of the chemical
process is taken into account. This permits the investiga-
tion of two kinetic phase transitions by using the partial
*Corresponding author. Isstitut de Recherches sur la Catalyse
CNRS, 2 Avenue Albert Einstein, F-69626 Villeurbanne Cedex, France.
Tel.: #33-472-44-53-49; fax: #33-472-44-53-99.
Present adress: Societe TOTAL, Centre de Recherches, B.P. 27;
F76700 Har#eur; France.
E-mail address: boudevil@catalyse.univ-lyon1.fr (Y. Boudeville)
the microscopic atomic surface. Other more sophisti-
cated models (Boudeville et al., 1993) include Arrhenius
laws and chemical engineering constants to describe dif-
fusion- or reaction-controlled regimes in the catalytic
reactor. At this level of modelling, temperature depend-
ant non-linear e!ects can be investigated. The last level of
complexity can be described in terms of the chemical
graph of reactions: not one catalytic reaction, but many,
not only reactions on the catalyst but also reactions in
the gas phase.
The `realisma of the reactor description was improved
by using a `catalytic reaction compilera linked to
a Monte-Carlo program that simulates the whole het-
ero-homogeneous catalytic reactor. This approach was
tested for the case of the oxidative coupling of methane
(Boudeville, unpublished). This model demonstrated the
necessity of layered catalysts to increase the selectivity in
ethane by more than 20%. This model uses a sub-set of
17 reaction/di!usion equations with a catalysis data
bank of 19 chemical species.
Two types of catalytic mechanisms were investi-
gated up to now: the Langmuir}Hinshelwood (Kolb and
Boudeville, 1990) and Eley}Rideal mechanisms for

0009-2509/99/$ - see front matter  1999 Elsevier Science Ltd. All rights reserved.
PII: S 0 0 0 9 - 2 5 0 9 ( 9 9 ) 0 0 1 4 7 - 5
4296 Y. Boudeville et al. / Chemical Engineering Science 54 (1999) 4295}4304

CO oxidation or CH oxidative coupling reactions, Table 1

 Elementary reactions in the MC model 1
respectively.
The present paper reports our present e!orts to model
C H #[C]#2[O ] k P2[OH ]#[C]#C H ;
the Mars}van Krevelen mechanism which applies for   I  I  
[OH ]#[OH ] k P[O ]#[C]#H O;
most oxidation reactions. One model takes into account I I  I 
H O#[O ]#[C] k P[OH ]#[OH ];
 I  I I
the oxygen motion in the bulk oxide lattice (Fig. 1) O #2[C] k P2[O ];
  I
by a kind of solid-on-solid model used by Elokhim O #2[C]#2[O ] k P4 [O3 ];
 I  I
[O ] #[C] m P[C] #[OC] ;
(Resnyanskii et al., 1997) for surface corrugation under I GH IJ%GH  GH IJ
[OHC] #[C] m P[C] #[OH ] ;
catalytic reactions. The oxidative dehydrogenation of GH IJ%GH  GH I IJ
[O3 ] #[C] m P[C] #[O3 ] ;
propane over VMgO catalysts was chosen as a model I GH IJ%GH  GH I IJ
C H #[O3 ]#10 (O "O3 ) k P3[C]#8 [OH ]#3CO;
  I I I  I
reaction, since numerous and detailed mechanistic and C H #[O ]#8(O "O3 ) k P3[C]#6[OH ]#3CO;
  I I I  I
kinetic data are available (Kung et al., 1997; Pantazidis CO#[O ] k P[C]#CO ;
I  
and Mirodatos, 1996a,b; Pantazidis et al., 1998a,b). In
C subscript: chemical species linked to the surface.
this respect, a Monte-Carlo model was constructed to [C]: empty surface site for the Monte-Carlo simulation.
describe the ODHP process over an optimized V/MgO [O ]: lattice oxygen of the surface.
I
catalyst (14 wt%V). The latter can be described essential- [O3 ]: adsorbed oxygen on the surface.
I
ly as (VO )\ polymerized units supported on MgO (O "O3 ): any form of oxygen in the degradation (total oxidation to
 I I
CO, CO ) reactions
platelets, together with some large crystallites of 
[] #[] : surface migrations of oxygen species,
Mg V O (Pantazidis and Mirodatos, 1996a; Pantazidis GH IJ
   k,l&i,j: the sites +k,l,, +i,j, are "rst neighbours.
et al., 1998b). Each reaction R is labelled by its kinetic constant } k P
G G
Each mobility M is labelled by a mobility constant } m P
H H
The symbols are also valid in Table 3
2. MC models

2.1. Model 1: Theoretical view of the elementary
catalytic steps
A "rst approach of the bare surface mechanism, with-
out bulk oxygen lattice motion, was carried out with
a system of 11 elementary steps occurring on the catalyst
surface only, this assumes that the 11 kinetic constants
are known. The Monte-Carlo simulation is made on
a 225;225 grid of atoms representing the bare surface,
adsorbed species and catalytic reaction products.
The pseudo-elementary steps of the catalytic process
are described in Table 1.
The theoretical graph of reactions in Table 1 matches
the main mechanistic features described in (Pantazidis
and Mirodatos, 1996b) and Pantazidis et al., 1998a).
They can be summarized as follows:
(i) the selective propane-to-propene route occurs on
a surface site formed of lattice surface oxygen and anionic
vacancy,
(ii) the non selective propane-to-CO degradation
V
route occurs on adsorbed electrophilic oxygen but also
likely involves lattice oxygen in further steps,
(iii) the secondary propene-to CO route involves both
V
types of surface oxygen species,
(iv) the site regeneration occurs by means of surface
dehydroxylation into water (from OH groups formed
upon the previous steps) and lattice vacancies reoxida-
tion by gaseous oxygen.
In this MC model 1, we use `pattern recognition tech-
niquesa to randomly decide if a catalytic site can undergo
degradation reactions leading to CO (the pattern is here
an ensemble of surface atoms). As many surface patterns
as necessary for the alkane reaction with oxygen (four for
C H , Table 2), in all the 2D space orientations, are
 
considered. If there is an exact topological match be-
tween the grid and a pattern, i.e., if any carbon atom or
hydrogen atom of the molecule can react with an oxygen
of the catalytic surface, and if this reaction is kinetically
selected by the MC process, then the complete reaction
occurs on the catalytic site; if the match is not perfect for
any pattern, no reaction occurs.
The idea beneath these four patterns is the possibility
for the catalyst surface to give in one step all the neces-
sary reactants to the colliding molecule for the speci"ed
reaction. This means that the sub-steps of one pseudo-
elementary reaction (k for example) are orders of magni-

tude faster than the mobilities of the catalytic species.
These patterns have been selected because they corres-
pond to `ensemble of atomsa in the closest shape of
a circular site of the surface which are found to be
necessary by experimentalists to develop such kind of
reactions (magnetism measurements).
During the simulation, the spatial 2D behaviour of the
oxide catalyst can interactively be followed from the
initial contact between reactants and the catalytic surface
(Fig. 2), i.e., under unsteady state conditions until the
steady state is achieved, i.e. it implies that there is neither
chaos nor oscillations (Qin Feng et al., 1998), by examin-
ing the time evolution of the reaction rates. Thus, it is
observed in Fig. 3 that due to the still increasing surface
di!usion M of adsorbed electrophilic oxygen [O3 ], the
 I
steady state is not yet reached after more than a thousand
of MC seconds. Fig. 4 gives the spatial 2D description
of the catalytic surface with an interactive summary
 Y. Boudeville et al. / Chemical Engineering Science 54 (1999) 4295}4304

Fig. 1. Left: Oxygen (blue) and vacancies (yellow) volume di!usion in bulk oxide; Upper Right: supposed reactive face (}cyan}"lattice surface oxygen atoms); Lower Right: supposed face of
O gas adsorption and dissociation on two neighbouring lattice vacancy sites (}yellow}).
4297


 4298
Y. Boudeville et al. / Chemical Engineering Science 54 (1999) 4295}4304

Fig. 2. First view of the [1 0 0] surface catalyst at the time"1 for the Model 1; Ox: means lattice oxygen; Oh: Hydroxyl groups; Oo: adsorbed electrophilic oxygen species; Va: means
Vanadium induced oxygen vacancy; Pr: is used to label the surface sites where a Propene has been selectively made at one time of the interactive Monte-Carlo simulation.
 Y. Boudeville et al. / Chemical Engineering Science 54 (1999) 4295}4304 4299

Table 2
Surface selected patterns for recognition of the reaction k (one

example)

Pattern 1 1 2 3 4 5
1 [.] [.] [.] [.] [.]
2 [.] [O ] [O ] [O ] [.]
I I I
3 [O ] [O ] [O3 ] [O ] [O ]
I I I I I
4 [.] [O ] [O ] [O ] [.]
I I I
5 [.] [.] [.] [.] [.]
Pattern EEWW.

Pattern 2 1 2 3 4 5
1 [.] [.] [O ] [.] [.]
I
2 [.] [O ] [O ] [O ] [.]
I I I
3 [.] [O ] [O3 ] [O ] [.]
I I I
4 [.] [O ] [O ] [O ] [.]
I I I
5 [.] [.] [O ] [.] [.]
I
Pattern NNSS.

Pattern 3 1 2 3 4 5
1 [.] [.] [.] [O ] [.]
I
2 [.] [.] [O ] [O ] [O ]
I I I Fig. 5. Time curves: Model 1. Variation in time of the di!erent surface
3 [.] [O ] [O3 ] [O ] [.]
I I I species coverages (between 0.0 and 1.0) and rate curves of reactants and
4 [O ] [O ] [O ] [.] [.]
I I I products. [A] a: Propane consumption; b: Propene rate of formation; c:
5 [.] [O ] [.] [.] [.]
I CO formation; d: CO . [B] e: [C] empty site coverage; f: [O ] site; g:
Pattern NESW.  I
[OH ] site; h: [O3 ] site coverage.
I I
Pattern 4 1 2 3 4 5
1 [.] [O ] [.] [.] [.]
I
2 [O ]
I
[O ]
I
[O ]
I
[.] [.] 225;225 atoms, is su$cient to have a small enough
3 [.] [O ] [O3 ] [O ] [.] random noise that concentration curves can be followed
I I I
4 [.] [.] [O ] [O ] [O ]
I I I without ambiguity. No physical meaning can be derived
5 [.] [.] [.] [O ] [.]
I from these curves since all the rate constants were taken
Pattern NWSE.
as 1 for this "rst MC model, a large part of these con-
stants being not available from any kinetic experiments.
A similar assumption was considered in the Zi!, Gulari,
Barshad ZGB model, where all the probability functions
are equal to 1.

2.2. Model 2: Toward an experimental description of

catalytic reactions

A second approach is now described where some of the

Fig. 3. Time curves: Model 1. Variation in time (Mcs"Monte-Carlo
second) of the di!erent reaction rates R between 1 and 1000 Mcs.
G in Table 3.
of all the reaction parameters at the depicted MC time
(computer screen dumps). Fig. 5 gives the changes
with MC time of reaction rates (A) for the reactant
(propane) and products (propene, CO, CO ) and in

surface concentrations (B) for surface oxygen and va-
cancy species. The size of the Monte-Carlo grid,
previous elementary reaction steps (Table 1) are lumped
in a way to be used with available kinetic coe$cients. The
later were determined from an experimental kinetic study
carried out on the selected VMgO catalyst (Pantazidis,
1996). This approach is less interesting for theoretical
purposes but presents the advantage that the predicted
surface and gaseous concentrations can be compared to
experimental data. The new set of equations is reported
Like for the model 1, the model 2 is based on two main
mechanistic features:
(i) the selectivity arises from the dynamic competition
between the selective route leading to propene and the
non-selective one leading to CO and CO ,

(ii) an island of a selected number of surface atoms is
necessary to accommodate the catalytic reaction, as
deduced from the statement that at least two VO\

4300 Y. Boudeville et al. / Chemical Engineering Science 54 (1999) 4295}4304
Table 3
The selected reactions for the `experimentala MC model 2
C H #[O ] k PC H #H O#[C];
  I    
O #2 [C] k P2 [O ];
  I dissociation of gaseous O on two adjacent vacancy sites
O #2 [C]#2 [O ] k P4 [O3 ];
 I  I
C H #[O3 ]#6 (O "O3 ) k P3 CO#4 H O#7 [C];
  I I I  
C H #[O3 ]#9 (O "O3 ) k P3 CO #4 H O#10 [C];
  I I I   
[O ] #[C] m P[C] #[O ] ;
I 
IJ%GH  GH I IJ
[O3 ] #[C] m P[C] #[O3 ] ;
I GH IJ%GH  GH I IJ
tetrahedral units are required for dehydrogenating the
propane molecule (Pantazidis and Mirodatos, 1996a,b).
Note that no hydroxyl OH adspecies appears in this
model 2 (actually lumped in step 1), at variance with the
complete model 1.
2.3. Model 3: Theoretical description of oxygen motion in
the bulk of the oxide; xrst Monte-Carlo approach of the
Mars}Van Krevelen mechanism.
As it has been done by Elokhin et al., 1997, it is now
possible to apply the Monte-Carlo method to treat the
atom motion on a solid (surface corrugation under chem-
ical adsorption). On the basis of this surface corrugation
of the catalytic solid in the solid-on-solid (SOS) scheme,
a further step can be proposed: the oxygen motion in the
oxide bulk. Like for the theoretical model 1 of a surface
reaction on oxide, this model of bulk di!usion through
the solid remains purely theoretical, since, again, no
experimental data are available yet. Fig. 1 gives the
spatial 3D description of the catalyst with an interactive
summary of all the parameters at the depicted MC time
(computer screen dump).
First the 3D crystallographic structure of an oxide is
generated with 50,653 atoms. Then the solid is cut by
a family of 14 planes to generate [1 1 1] and [1 0 0] faces
of the oxide. In order to have a good insight into the solid
di!usion mechanism, one face has been selected (for
example one among eight [1 1 1] faces) to be catalytically
active. On this face, the lattice oxygen vacancies, con-
secutive to catalytic surface reactions (see Table 1) can
migrate throughout the bulk in a 3D random scheme. An
oxygen lattice site is randomly chosen. If there is an
oxygen atom in it, a random search for a neighbouring
3D vacancy is performed. If other actions (like a reaction)
are possible, all the actions are weighted by frequency
factors and the random number on the reduced scale of
actions [between 0 and less than or equal to 1] deter-
mines the selected action. If the number is in the upper
zone corresponding to `no eventa, nothing is done in this
MC cycle (Fichthorn and Weinberg, 1991). In this article
we see a way of connecting the real time and the MC
time. This connection is not established in this present
work because we deal only, for the moment, with the
qualitative features of reaction processes. The same kind
of random treatment is used if the selected lattice crystal-
lographic site is occupied by an oxygen vacancy, but
conversely with the random search of neighbouring lat-
tice oxygen and actions dealing with adsorption and

on the selected adsorption face. The experimentalists
assumption here is that this face is more favourable to the
oxygen adsorption/dissociation process, while the "rst
one is more favourable to the catalytic reaction. These
vacancies, propagating in the solid, meet then a face of
reoxidation by gaseous oxygen adsorption and dissocia-
tion (for example one among six [1 0 0] faces), and a cur-
rent of lattice oxygen bulk di!usion is then involved,
balancing the vacancy current in the steady state. Only
two faces were considered here, one for reaction, the
other for oxygen adsorption, for theoretical simplicity
and because of the lack of full description of the catalytic
sites on the VMgO catalyst. A more advanced descrip-
tion of all the reactive sites, both for alkane and oxygen
activation, including an experimental measurement of
the rate constants, would certainly lead to a model 4,
fully describing the ODHP process.
At this point of the work, this theoretical model 3 can-
not yet be connected to the model 1 of propane ele-
mentary reactions because crystallographic data are
necessary and, a fortiori, to model 2 which needs experi-
mental bulk di!usion constants to work at the same level
of approximation.
3. Results and discussion
Table 4 lists the set of constants determined from the
kinetic analysis of the ODHP over VMgO catalyst,
which correspond to the set of equations proposed in
Table 3 for the MC model 2.
The set of rate constants were obtained from a kinetic
study carried out on the selected VMgO catalyst (Panta-
zidis, 1996) and are incorporated in the last model to
trigger the probabilities of events in the MC process
(Wolf et al., 1993). Actually, only the "ve k were deter-
G
mined from this study, since no step of surface mobility
Table 4
Kinetics constants determined by a kinetic analysis of ODHP data over
VMgO catalyst
Steps Kinetic constants
(lmol/g s kPa)
k 1.18E-02

k 9.36E-02

k 2.32E-02

k

1.86E-03
k 6.17E-03

m "k 1.18E-02
 
m "k 1.86E-03
 
 Y. Boudeville et al. / Chemical Engineering Science 54 (1999) 4295}4304

Fig. 4. Model 1, spatial representation of the catalytic surface at time"1000 Mcs. The caption for surface species has been de"ned in Fig. 2. Number of Reaction 00 is the total number of
reactions that have occurred on the solid catalyst.
4301
4302 Y. Boudeville et al. / Chemical Engineering Science 54 (1999) 4295}4304
 Y. Boudeville et al. / Chemical Engineering Science 54 (1999) 4295}4304
Fig. 7. Model 2, Time curves. Variation in time corresponding to Fig. 6.
One can see here that the absence of [O ] groups (lattice O\ oxygen
VI
species) prevents the selective formation of Propene. (The [OH ] has
I other weakness of the model 2 is the absence of surface
no value because the hydroxyl group is not used in these graphs of
model 2). The position of the [O ] coverage (between 0.0 and 1.0)
VI
shows that the catalyst is active and also selective } Fig. 6: Balance
[Propene/Propane]"100(6196619/6498644)"95% of selectivity.
was considered. Thus, the two mobility constants m and
 of surface OH groups under the ODHP reaction condi-
m required by the MC model 2 are assumed to be of the
 tions (5503C) (Pantazidis and Mirodatos, 1996b). For
same magnitude as k and k , respectively. Such an
 
assumption is based on the general observation that the
time required for a catalytic cycle in an oxidation reac-
tion is of the same order of magnitude as the time
required for a surface oxygen species to move from one
atomic site to another one in order to regenerate the
active site (this mobility corresponds to a surface di!u-
sion coe$cient around 10\ m/s).
These experimental data were incorporated in the
Monte-Carlo dynamic model, by using the real time
pattern recognition model in order to see if the colliding
molecule can undergo a reaction with adsorbed species
on the catalytic site.
The spatial 2D behaviour of the oxide catalyst after
reaching the steady state is shown in Fig. 6. Fig. 7 gives
the changes with MC time of reaction rates (A) for the
reactant (propane) and products (propene, CO, CO ) and

in-surface concentrations (B) for surface oxygen and
䉳 between the experiment and MC kinetic data, a very
Fig. 6. Model 2, spatial representation of the catalytic surface at
time"1000 Mcs. The surface is incompletely covered by electrophilic
oxygen (red) species that leads only to degradation products CO and
CO . The white patterns correspond to pattern recognition where

a degradation reaction had just taken place. The catalyst is not dynam-
ically poisoned but in a state comparable to model 1. As for model 1,
1 (Fig. 5), a "rst period of unsteady-state regime is observed, but leading
rapidly to an equilibration of the Fig. 4, the [O3 ] coverage (red) is too
I
high.
4303
vacancies species. As observed for the previous model
catalytic process: stable rates of conversion/production
and of surface concentrations. As for the reaction rates, it
can be derived from the MC model that most of the
propane is converted to propene, with a selectivity close
to 95% (Fig. 6) which is slightly more than the actual
experimental selectivity found around 75%. As for the
surface concentration, it is observed that the initially
prominent lattice oxygen species [O ] have been par-
I
tially replaced (i.e. oxidized) by adsorbed electrophilic
oxygen species [O3 ] while the concentration of anionic
I
vacancies remains at a smaller level. This would corres-
pond to a rather oxidised catalyst surface, as expected
under the reaction conditions. However, the concentra-
tion of adsorbed oxygen [O3 ] tends to be higher than
I
what was deduced from the experimental kinetic study
(Pantazidis and Mirodatos, 1996a,b; Pantazidis et al.,
1998a,b). Indeed such a high surface coverage with these
[O3 ] species would have favoured the total oxidation
I
of propane into CO at the expense of the propene
V
formation, which was not observed experimentally. An-
[OH ] groups which were not considered for the
I
sake of reaction simpli"cation as previously stressed
in Table 3. Indeed, the model will have to be improved
since a direct observation of the working surface by
in situ infrared spectroscopy demonstrated the presence
the oxygen cycle (reoxidation of anionic vacancies [C]
into lattice oxygen [O ] (step 2 in Table 3) in the
I
MC model 2, it can be speculated that in addition to
the surface reoxidation, a migration of lattice oxygen
from the bulk to the surface could also contribute to
this oxygen cycle, as expected in a Mars}van Krevelen
process. By ignoring this possibility in the model 2, this
could possibly explain the over concentration of
adsorbed electrophilic oxygen as outlined above. Taking
into account the two phenomena model 2#model 3 can
then lead to the same kind of result, but by splitting the
k rate of reaction into two parts, one for each model

process.
4. Conclusion
Though signi"cant discrepancies were observed
promising behaviour of the model towards a reliable
and detailed description of the working catalysts
was noted. However, the availability of complete
and consistent kinetic constants from the kinetic experi-
ments which could signi"cantly improve the MC model
e$ciency is dubious for such a complex reaction.
Therefore, the next step in this theoretical treatment of
the ODHP could be the following one: The Monte-Carlo
4304 Y. Boudeville et al. / Chemical Engineering Science 54 (1999) 4295}4304
models can be fed by a set of k kinetic constants in
G
the realistic range. The output of the models, with all the
physico-chemical features taken into account, can be the
time evolution of all the reactants, products, transient
species, known or unknown, involved in the catalytic
reactions. The MC simulation acts then like an integrator
of data and concepts. The interactive spatial "gures (vol-
ume Fig. 1, surface Figs. 2, 4 and 6) are a natural way to
follow with the best accuracy the evolution of catalyst
reactivity and it goes far beyond `mean "eld theorya
models. The correct description of the islands of atoms,
ensemble that could constitute a catalytic site, can be
easily set-up by pattern recognition according to experi-
mental assumptions. The known experimental curves on
the variation of chemical species varying in the un-
steady-state regime can then be used to build up an
objective function. Then the genetic algorithms can be
applied to the output of a `population of k a, to have
G & Bal'zhinimaev, B. S. (1997). Chemical Physics Letters, 264, 174.
the best "t between the theoretical and experimental
curves.
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