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Derive Perfectly Stirred Reactor

This document derives equations to model the time-dependent behavior of gas mixtures in a perfectly stirred reactor with inlet and outlet flows. It presents equations for mass conservation, species conservation, and energy conservation. The species conservation equation simplifies to the rate of change of species i being equal to the inlet/outlet difference divided by residence time, plus the rate of any reactions involving species i. The energy conservation equation similarly relates the temperature rate of change to enthalpy flow differences and reaction terms.

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Tiefu Zhu
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79 views3 pages

Derive Perfectly Stirred Reactor

This document derives equations to model the time-dependent behavior of gas mixtures in a perfectly stirred reactor with inlet and outlet flows. It presents equations for mass conservation, species conservation, and energy conservation. The species conservation equation simplifies to the rate of change of species i being equal to the inlet/outlet difference divided by residence time, plus the rate of any reactions involving species i. The energy conservation equation similarly relates the temperature rate of change to enthalpy flow differences and reaction terms.

Uploaded by

Tiefu Zhu
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as DOCX, PDF, TXT or read online on Scribd
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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

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