Titania/silica gels covered by a carbon layer using pyrolysis of cyclohexen
e at 973 K and containing different amounts of titania (C-TiO2) and carbon
deposit (Cc) have been studied by means of pyrolysis kinetics, nitrogen ads
orption/desorption, TEM, IR spectroscopy, differential thermogravimetry, an
d theoretical methods. The pyrolysis rate depends on the concentration and
the characteristics of a titania phase, as anatase, which forms at a lower
synthetic temperature in comparison with rutile, catalyzes this process mor
e strongly than rutile does. The adsorbent mesoporosity decreases with incr
easing concentrations of titania and carbon covering the oxide surface main
ly in mesopores, but in the case of C/SiO2, carbon can be also grafted onto
the outer surface of silica. The microporosity (maximal for binary systems
C/SiO2 or TiO2/SiO2) of carbon/titania/silica gels is relatively low and c
hanges slightly with increasing deposit concentration. The influence of car
bon on the specific surface area of the adsorbents is weaker than that of t
itania due to not only the difference in the morphology of these deposits p
er se but also the types of their distributions and contacts between grafte
d matters and substrate surfaces. Carbon deposit reduces the amount of adso
rbed water to a greater extent than titania does. Theoretical modeling of C
/TiO2/SiO2 and pyrolysis of cyclohexene has been performed using different
quantum chemical methods and molecular mechanics.