Environmental Engineering Reference
In-Depth Information
A balance for a chemical species i in an arbitrarily chosen system, in terms of the
generic Equation (3.1), is easily derived as
Accumulation rate of species i = rate of supply of species i
rate of release of species i
+ rate of production of species i
−
ð
Eq
:
3
:
5
Þ
This equation can be mathematically reformulated in macroscopic form as
(Westerterp et al., 1988)
dm
i
dt
=
φ
m
,
i
,
in
−
φ
m
,
i
,
out
+MW
i
R
i
h
i
V=
−
Δ
φ
m
,
i
+MW
i
R
i
h
i
V
ð
Eq
:
3
:
6
Þ
s
−1
) of species i caused by the chemical reaction
with
R
i
, expressed as the molar conversion in time per reactor volume (mol
MW
i
R
i
is the rate of production (kg
m
−3
s
−1
)
and
representing the average over the space in which the reaction takes place.
R
i
usually depends on the concentrations of the species present and on temperature;
accompanying reaction rate expressions are dealt with in Chapter 5.
The aforementioned macroscopic mass balance equation can also be rewritten so as
to give the macroscopic
mole balance
for species i:
h…i
dn
i
dt
=
φ
n
,
i
,
in
−
φ
n
,
i
,
out
+
R
hi
V=
−
Δ
φ
n
,
i
+
R
hi
V
ð
Eq
:
3
:
7
Þ
When chemical conversions are considered, it is important to define towhich extent such
reactions take place in a reactor. For this purpose, the degree of conversion (
)isintro-
duced, which is based on the mass fractions of the reacting species (Y
i
). It is defined as
ξ
ξ
≡
j
Y
i
0
−
Y
i
j
ð
Eq
:
3
:
8
Þ
Now, consider a reaction |v
A
|A + |v
B
|B
v
X
X+v
Y
Y.
If no species are added to or removed from the reacting system, we can write
!
Y
A
+Y
B
+Y
X
+Y
Y
= constant
:
The following relation holds with respect to the moles of the reacting species:
ξ
A
ν
jj
ξ
B
ν
jj
ξ
X
ν
X
MW
X
=
ξ
Y
ν
Y
MW
Y
MW
A
=
MW
B
=
ð
Eq
:
3
:
9
Þ
For more convenience in calculations, the degree of conversion is related to the con-
centration of the species originally present. Thus, the relative degree of conversion of
a
reactant
(
ζ
) is defined as
ζ
i
=
ξ
i
Y
i
Y
i
0
Y
i
0
=1
−
ð
Eq
:
3
:
10
Þ
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