ChE 101 2012
Problem Set 4
Read Schmidt, Chapter 4
1. Consider the reactions
A
→
D,
r
1
=
k
1
c
2
A
A
→
B,
r
2
=
k
2
c
A
B
→
C,
r
3
=
k
3
with B the desired product. In the subsequent problems, you may use Mathematica to
evaluate integrals and simplify algebraic expressions.
(a) Determine the yield and selectivity for B as a function of
τ
and
c
A,
0
in a CSTR.
(b) Repeat (a) for a PFR.
(c) Find the value of
τ
that maximizes the yield of B in a CSTR.
(d) Repeat (c) for a PFR.
2.
Computational problem of the week:
In lecture, we saw that an arbitrary system of
S
chemical reactions involving
N
species could be represented by a single stoichiometric matrix
ν
, where
ν
ij
is the stoichiometric coeﬃcient of species
j
in reaction
i
. For each of the
S
reactions in the system (1
≤
i
≤
S
), the reaction rate can be expressed as
r
i
=
f
(
{
c
j
}
),
where
c
j
is the concentration of species
j
(1
≤
j
≤
N
). This yields the vectorized rate law
r
=
f
(
c
), where
r
and
c
are vectors of length
S
and
N
, respectively.
(a) Write a Matlab function that ﬁnds
c
(
τ
) for any such reaction system in a constant
density CSTR. The function should take in a stoichiometric matrix
ν
, a function handle
for the vectorized rate law
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 Winter '11
 ARNOLD
 Reaction, Chemical reaction, CSTR, constant density CSTR, CSTR outlet stream

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