J. Smolanoff et al., KINETIC-PARAMETERS FOR HETEROGENOUS BORON COMBUSTION REACTIONS VIA THE CLUSTER BEAM APPROACH, Combustion and flame, 105(1-2), 1996, pp. 68-79
In the Cluster Beam method, singly ionized clusters of controlled size
and composition are used as experimental ''models'' of macroscopic su
rfaces. Within this framework, it is possible to predict product distr
ibutions and kinetic parameters for elementary surface reactions over
a wide range of temperatures and surface compositions. In some cases w
e can also derive thermodynamic information relevant to elementary rea
ction products and reaction intermediates. The fundamental assumptions
, experimental methods, and data analysis techniques are described, an
d estimates are given for the reliability of Cluster Beam predictions.
Our predictions are compared with the single case where good surface
reactivity data are available from more conventional experiments. The
technique is illustrated with detailed results for boron oxide cluster
ion reactions with HF, which are used to predict kinetics related to
boron oxide layer removal in fluorine-containing propellants, fut ls,
and explosives. Kinetic parameters and product distributions are then
presented for elementary reactions of pure boron with a number of spec
ies including oxidizers, hydrocarbons, CS2, D-2, BF3, and HF. While th
ere are clearly varying degrees of uncertainty associated with our pre
dictions, we believe that in the continued absence of surface chemistr
y data, our results provide a valuable tool for refining our picture o
f the elementary chemistry important in boron volatilization and combu
stion.