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COMPUTER-AIDED

            (2  lb)  requires 1 lb-mol of ethylbenzene (106 lb); Thus, on a basis
            styrene, the value of the products is
                                 104*0.42  + 2*0.30  = $44.28
            while the value of the ethylbenzene is
                                     106*0.25  = $26.50
            The product value exceeds that of the raw materials, so  R&Q@
            process to be profitable and the process synthesis may continue.  %&c@#.I
            carrying out the process-the equipment, utilities, labor, overhead, etc.-has not’
            been accounted for, nor has the fact that the conversion of reactant to product
            necessarily will be less than 100 percent.
                The chemistry of the process is considered more thoroughly. Reaction (1)  is
            an equilibrium reaction; it does not go to completion. The reaction is conducted.in
            the gas phase over a solid, ferric-oxide based, catalyst. It is carried out at about
            1-atm total pressure (low pressure favors the products of this equilibrium) and a
            temperature around 600°C (1112°F). Steam is added to lower the partial pressure
            of the products, thereby further favoring their formation. The reaction is
            endothermic, with the heat required being supplied by the steam. A steam-to-
            ethylbenzene molar ratio of 14 to 1 is representative. At typical process
            temperatures other reactions occur, including
                              C,H,-C,H,  +  C,H,  +  C2H,                 (2)
                               1            benzene  ethylene
            and
                         C,H,-C,H,   +  H,  =  C,H,-CH, +  CH,  .         (3)
                                               to1uene   methane
            Reactions  (2) and (3)  consume ethylbenzene without producing the desired styrene;
            they also produce by-products that must be separated from the product and
            disposed of or utilized.
                The process feeds are ethylbenzene and steam and the products are
            condensed steam, styrene, benzene, toluene, hydrogen, methane, and ethylene.
            Including the steam, valued at $O.Ol/lb,  adds $2.52 to the  total feed cost, raising it
            to $29.02 per 104 lb of styrene product. The value of the products still exceeds that
            of the inputs.
                Our knowledge of the process at this point is shown schematically in Fig. 4-2.
                Step 2. Recycle structure. It is necessary to have information on the extent
            of each of the three reactions at the reactor conditions. These extents could be
           calculated by using complete reaction-kinetic information, and this probably would
           be done in a more complete design of the process. Fogler presents examples of
            such models.? Process-invention programs, however, avoid lengthy calculations by
            simplifying the models used. A chemical reactor might be modeled by expressing
            the extent of each reaction as a function of the conversion-per-pass of a key
            reactant or, even more simply, as a constant. Simplified models are derived from
            detailed data or models of process operations and reasonable assumptions



       tH.  S.  Fogler,  “Elements of Chemical Reaction Engineering,” Chapter 9, Prentice-Hall, Englewood
       Cliffs, NJ, 1986.
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