Unity initial ozone mole fraction

Figure 1. Computed profiles for unity initial ozone mole fraction...

Figure 4. Calculated atomic oxygen profiles for unity initial ozone mole fraction (-----), the result of substituting Warnatz s expression for k, and k into our model.

In comparing profiles there are sensible differences in some model results. For an initial ozone mole fraction of unity Figures 4 and 5 show a comparison of the atomic oxygen and temperature profile respectively. (For ease in viewing the curves have been arbitrarily displaced from each other along the distance axis.) Following the method of comparison discussed above we substitute Warnatz expressions for ki and k2 into our code and find the dashed-line profiles. Thus, we find that differences in the model profiles are due mainly to the different expressions for k and k2. 

In order to distinguish which expression for k2, if either, is correct, high temperature measurements and/or ab initio calculations of the rate coefficient for reaction (2) are required. Alternately, the computed differences in the values for atomic oxygen and for the temperature in the burned region at an initial ozone mole fraction of unity appear to be large enough that profile measurements above such a flame may be sufficient to distinguish between the two expressions. 

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