Conversion profile, computed axial

Figure 5. Computed axial conversion profile with changes of variable G, (ratio of conductive to convective heat transfer)...

Figure 8. Computed axial conversion profiles for changes of variable G3 (activation energy group)...

To quantify the effect of the incomplete mixing on reaction rates in the front of the reactor channel, this same simulation was repeated assuming second order kinetics (first order in each of the two components) and Cjj = C2j = 100 mol m. A rate constant of 1.0 X 10 m moh s was used to give an intermediate level of conversion (near 25%). This case can be compared with a simulation in which the inlet boimdary conditions were changed to assume complete mixing (50 mol m of each component across the entire inlet cross section). The axial fractional conversion profiles for these two cases (unmixed and premixed feeds) are shown in Fig. 13.4, where the unmixed feed curve is the average of the calculated values for the two components. The computed conversions for the two components were... 

At this point the computer takes over. Gases with several values of jacket temperature and several values of heat-transfer coefficient, or hU/kg, are examined, and also several assumptions about the temperature at the wall at the inlet. Eq. (U) with n = 0 could be used. The number of axial increments are found for several cases of 50% conversion. Two of the profiles of temperature or conversion are shown in Fig. 23-6. 

The objective was to develop a model for continuous emulsion polymerization of styrene in tubular reactors which predicts the radial and axial profiles of temperature and concentration, and to verify the model using a 240 ft. long, 1/2 in. OD Stainless Steel Tubular reactor. The mathematical model (solved by numerical techniques on a digital computer and based on Smith-Ewart kinetics) accurately predicts the experimental conversion, except at low conversions. Hiqh soap level (1.0%) and low temperature (less than 70°C) permitted the reactor to perform without plugging, giving a uniform latex of 30% solids and up to 90% conversion, with a particle size of about 1000 K and a molecular weight of about 2 X 10 . 

Baddour [26] retained the above model equations after checking for the influence of heat and mass transfer effects. The maximum temperature difference between gas and catalyst was computed to be 2.3°C at the top of the reactor, where the rate is a maximum. The difference at the outlet is 0.4°C. This confirms previous calculations by Kjaer [120]. The inclusion of axial dispersion, which will be discussed in a later section, altered the steady-state temperature profile by less than O.S°C. Internal transport effects would only have to be accounted for with particles having a diameter larger than 6 mm, which are used in some high-capacity modern converters to keep the pressure drop low. Dyson and Simon [121] have published expressions for the effectiveness factor as a function of the pressure, temperature and conversion, using Nielsen s experimental data for the true rate of reaction [119]. At 300 atm and 480°C the effectiveness factor would be 0.44 at a conversion of 10 percent and 0.80 at a conversion of 50 percent. 

If the parameters of the kinetics and heat transfer are known, the PA synthesis can be simulated by modern computers and programs to solve differential equations. Here this was carried out by the commercial program Presto-Kinetics (www.cit-wulkow.de), which is frequently used in this book. The results are given in Figure 6.13.1 by the axial profiles of temperature (tube axis), o-xylene conversion, and selectivity to phthalic anhydride for a tube length of 3 m. 

Axial profiles of the computed catalytic (O and gas-phase (G) propane conversion rates (the latter integrated over the 7-mm channel height), are presented in Fig. 4.2 for Cases 1-4. 

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