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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