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Assignment # 2 (Ch.

E-505 Advanced Reaction Engineering)

Deadline: 27 Oct 2017 (strictly followed)

1. Consider the following chlorination of benzene reaction system of elementary reactions


Cl2 + C6H6 C6H5Cl + HCl
Cl2 + C6H5Cl C6H4Cl2 + HCl
Assume that chlorination of di-cholorobenzene does not occur to an appreciable extent. Mono-
chlorobenzene is desired product.
i. Obtain an equation that relates the concentration of mono-chlorobenzene to the
concentration of benzene, assuming that only benzene and chlorine are present initially:
a) For a CSTR
b) For a batch reactor
ii. Utilizing this information, for each of the above cases (1 and 2) in order to minimize the
rate of production of dichlorobenzene relative to the rate of production of
monochlorobenzene, would you want a high or low conversion of benzene? Prove this
mathematically for each of the following cases.
k1 > k2
k1 = k2
k1 < k2
iii. For industrial situation, what other consideration is particularly important in addition to
minimizing the rate of production of undesired products relative to that of desired
product? Answer his question very briefly in a qualitative manner.

2. Xylene isomerization reactions can be accomplished by contacting a hot gas stream with a
solid catalyst. Under these conditions the isomerization reactions may be regarded as reversible
and first-order. Unfortunately, the catalyst also catalyzes disproportionation reactions. These
reactions may be regarded as essentially second order and irreversible. If one desires to achieve
an equilibrium mixture of isomers with minimal material losses due to disproportionation, what
do you recommend concerning the mode in which one should operate a continuous flow
reactor?

3. Gulyaev and Polak [Kinetics and Catalysis,6 (352), 1965] have studied the kinetics of the
thermal decomposition of methane with a view toward developing a method for the
commercial production of acetylene in a plasma jet. The following differential equations
represent the time dependence of the concentrations of the major species of interest.
a) Integrate these differential equations to determine the time dependent behavior of each
species concentration. Assume that the only species present initially is methane and that
its initial concentration is (CH4)0.
b) Determine the times corresponding to maximum concentrations of C2H4 and C2H2. It
may be noted that
k1>> k3 >> k4
and that

Where T is expressed in Kelvin.


c) If the reaction at 2500 K may be considered as occurring at constant volume, determine
the times corresponding to the two maxima. Note that the time in the plasma jet will be
exceedingly small.
d) Roughly what fraction of the methane is converted to acetylene at 2500 K if the contact
time in a plasma jet is that corresponding to the maximum in acetylene concentration?