Derivation for time dependent gas mixture in a perfectly stirred reactor with

an open system
My assumptions are: ignore surface reactions, heat loss
* = in
m
= outlet mass flow rate
m

= inlet mass flow rate

= mass density

V = reactor volume
T = gas temperature
=m/ m

= residence time

Mass conservation
dm d ( V )

=
=m
m

dt
dt

d V
=
m

dt

m=

V
d
V

dt

Species equation
d mi d ( V Y i )
dYi
d ( V )
=
=m
Y i mY
i +
i W i V = V
+Y i
dt
dt
dt
dt

d Yi
d ( V )
Y i mY
i +
i W i V Y i
=m
dt
dt

Substitute continuity
d Yi
d ( V )
d ( V )

V
=m
Y i m

Y i+
i W i V Y i
dt
dt
dt

Expand terms
d Yi
d ( V )
d ( V )
Y i m
Y i+
i W i V Y i
V
=m
Y i+
dt
dt
dt
Cancel terms
d Yi
Y i m
Y i +
iW iV
V
=m
dt
Which simplifies to

dYi 1

W
= ( Y i Y i ) + i i
dt

Where
V
=
m

Energy Equation
This reactor is constant pressure, but even though there is a constant total
volume there is not constant specific volume
dv
net , p
dt
du
= q
dt
Definition of enthalpy
h u+ pv
dh du
dv
dp
= + p +v
dt dt
dt
dt
dp
=0
dt

because constant pressure, substitute

equation

dv
dt

du
dt

equation into

dh
dt

terms cancel

net ,
dh
=q
dt
Therefore we can conserve enthalpy instead of energy, energy is still
conserved but would need an additional equation from ideal gas law to
dv
calculate
dt if we would want to conserve energy instead of enthalpy.
dH d ( mi hi )
out
=
= H H
dt
dt
dh
d mi
dH
= mi i + hi
dt
dt
dt
d ( V Y i )
dH
dT
= V Y i c pi
+ hi
dt
dt
dt

d Yi
d ( V )
dH dT
Y i hi m
Y i hi
=
V c p + hi Y i
+ V
=m
dt
dt
dt
dt

dYi
dT
Y i hi m
Y i hi hi Y i V d + V
V c p= m
dt
dt
dt

Substitute continuity
dT
Y i hi V V d
V c p= m
dt

dt

dY
) Y h h (Y V ddt + V dt )
i

Expand terms
dT
Y i hi V
V c p= m
dt

Y i h i+V ddt Y i hi ddt V hi Y iV hi

Cancel terms
dT
Y i hi V
V c p= m
dt

Y i h iV hi

d Yi
dt

Substitute species equation

W
dT
Y i hi V Y i h iV hi 1 ( Y i Y i ) + i i
V c p= m
dt

Expand terms
dT
V
V c p= m
Y i hi
dt

Y i h i

Cancel terms
dT
V
V c p= m
Y i hi
dt

hi Y i V hi i W i

Substitute

m
=

dT
V
V c p=
dt

V
V
hi Y i +
h Y V hi
i Wi

i i

Y i hi

hi Y i V hi i W i

dT

c p = Y i ( h i h i ) hi
iW i
dt

dT
1
1
=
Y i ( hi hi )
h
W

dt c p
cp i i i

d Yi
dt