Mathematical-Thermochemical
Modeling of High Temperature Corrosion Processes in Waste Incineration Plants
Oleg Chizhko
Oleg.Chizhko@alumni.uni-karlsruhe.de
We regard a
model of the thermal destruction for municipal
solid waste on the 'TAMARA' roasts. We add fine-
dispersed metals in the form of a powder to the
fuel (25% of coal, 15% nitrogen, till 5% hydrogen, 25% inert material and 30%
water) with aim to investigate the formation of metal rest species.
In this
reactor each of the M species has an activity
. We compute an activity aji
of the i-substance in the j-reaction as a difference
of the total sums of chemical potentials for the N products and L educts, which
take part in the j- reaction
. aj
is the activity of the j-reaction. We search a solution of the differential
equation
in the form of Euler’s
operator
. ni
is the equilibrium concentration of the i-specie.
Following this iteration process we reach the start
concentrations of the P elements (bl) with
the global error of 10-7. The difference method is stable because of
the continuous dependence of the ni on
imputed elementary balances in the interval I=[t0,bl]. The width of a step h is the
calculated minimal value of a stechiometric
coefficient in a case, when the activities of all substances in a chemical
reaction are maximal (=1).

qlm is the
quantity of the l-element in a reaction. m is the
number of species, which include the l-element.
The program complex ‘MeRS-data’ (metal rest species) is the computational program
for the equilibrium activities of multi-component systems. The databases
contain the 'IVTANTHERMO' constants and coefficients for the
approximation of thermodynamic functions.