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Lecture Notes:BASIC LAWS IN Modeling: Principles of Formulation of Model

The document summarizes key equations for modeling energy transfer in systems. It presents the general energy equation that accounts for energy entering and leaving a system as well as energy generated within the system. It then applies this equation to specific examples, including a continuous stirred-tank reactor (CSTR) with heat removal, a two-phase CSTR, and a tubular reactor with heat transfer to a cooling jacket. For each example, assumptions and terms in the customized energy equation are defined.

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34 views

Lecture Notes:BASIC LAWS IN Modeling: Principles of Formulation of Model

The document summarizes key equations for modeling energy transfer in systems. It presents the general energy equation that accounts for energy entering and leaving a system as well as energy generated within the system. It then applies this equation to specific examples, including a continuous stirred-tank reactor (CSTR) with heat removal, a two-phase CSTR, and a tubular reactor with heat transfer to a cooling jacket. For each example, assumptions and terms in the customized energy equation are defined.

Uploaded by

ajitsinghrathore
Copyright
© © All Rights Reserved
Available Formats
Download as PPT, PDF, TXT or read online on Scribd
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Lecture Notes :BASIC LAWS IN

MODELING
Principles of Formulation of model:
•Basis
•Assumptions
•Mathematical consistency of model
•Solution of the model equations
•Verification
Energy equation:
The energy equation of the system:
[Flow of internal, kinetic and potential energy into system by
convection or diffusion]-[Flow of internal, kinetic and potential
energy out of system by convection or diffusion] + [Heat added to
system by conduction, radiation and reaction]-[Work done by
system on surroundings (shaft work and PV work)]
=
[Time rate of change of internal, kinetic and potential energy inside
system]
Unit: The units of this equations are energy per time.
Ex.6:
Consider the same system of CSTR this time with a cooling coil
inside the tank that can remove the exothermic heat of reaction 
(cal per g moles of A reacted).
Normal convention is that  -ve for an exothermic reaction and
+ve for an endothermic reaction.

F0 (t)
A 
B k
0 (t)
CA0
V (t),  (t),
T0
CA, T
-Q F (t),  (t)
CA, T

CSTR with heat removal


The rate of heat generation (energy per time) due to
reaction is the rate of consumption of A times .

QG  VC A k
energy energy 3 moles of A 1
 m
time moles of A m3 time

• The rate of heat removal from the reaction mass to the


cooling coil is –Q (energy per time).
• The temperature of the feed is T0 and the temperature in
the reactor is T in degree k.
Energy equation for the system is
d [(U  K   )V  ]
F0 0 (U 0  K 0  0 )  F  (U  K   )  (QG  Q)  (W  FP  F0 P0 ) 
dt

Where U= internal energy (energy per unit mass)


K=Kinetic energy (energy per unit mass)
=Potential energy (energy per unit mass)
W=shaft work done by the system (energy per time)
P=Pressure of the system
P0=Pressure of feed stream
Unit: all terms are in energy/time in the energy
equation
• Here no shaft work so W=0, inlet and outlet velocities are
not very high, the kinetic energy term is negligible.
• Since elevations of inlet and outlet flows are about the
same, the potential energy term is small. Thus the above
equation is reduced to following form.

d ( VU ) P P0
 F0 0U 0  F U  QG  Q  F   F0 0
dt  0
 F0 0 (U 0  P0V0 )  F  (U  PV )  QG  Q

Here V is specific volume in m3/kg i.e. reciprocal of


density.
H or h = U+PV
N.B h enthalpy of liquid and H enthalpy of vapor
For CSTR
d ( VU )
 Fo 0 ho  F  h  Q  VkC A
dt
For liquids the PV term is negligible compared to the U
term and so the time rate of change of enthalpy of the
system will be same as time rate of change of internal
energy.

d ( Vh)
 Fo 0 ho  F  h  Q  VkC A
dt

As h=Cp T

d (VT )
C p   C p ( FoTo  FT )  Q  VkC A
dt
Ex.7:
This example is related to two phase system. Consider the CSTR
process as shown below.

Fv, v
y, Tv
Vv, v, P, Tv, y, H

VL, , CA, T
F0 (t)
F (t),  (t)
0 (t)
VL,  (t), CA, T CA, T
CA0
-Q
T0

Two phase CSTR with heat removal


• Both a liquid product stream F and a vapor product stream Fv
(volumetric flow) are withdrawn from the vessel.
• The pressure in the reactor is P.
• Vapor and liquid volumes are Vv and VL.
• The density and temperature of the vapor phase are v and Tv.
• The mole fraction of A in the vapor is y.
• If the phases are in thermal equilibrium, the vapor and liquid
temperatures are equal (T=Tv).
• If the phases are in phase equilibrium, the liquid and vapor
compositions are related by Raoult’s law a relative volatility
relationship.
• The enthalpy of the vapor Phase H (cal/g) is a function of
composition y, temperature Tv and pressure P.
Neglecting kinetic energy and potential energy terms and the
work term, the replacing energies with enthalpies in the time
derivative, the energy equation of the system (the vapor and
liquid contents of the tank) becomes as follows.

d ( vVv H  VL h)
 F0 0 h0  F  h  Fv v H  Q  VkC A
dt

This equation can be explicitly used in terms of temperature


using the following relations

h  C pT
H  C pT  v
Where v is an average heat of vaporization of the mixture.
• In a more rigorous model v could be function of
temperature Tv, composition y and pressure P.
Incorporating this into the model we get the following
equation.

d[ vVv (C pT  v )  VLC pT )
 F0 0C pT0  F C pT  Fv v (C pT  v )  Q  VkCA
dt
Ex.8:
This example is related microscopic system. Consider a plug flow
tubular reactor and the temperature changes as the fluid flows
down the pipe.

Tm (t, z)

CA0 (t)
T0 (t)

CAL (t)
CA (t, z)
TL (t)
JACKTED TUBULAR REACTOR T (t, z)
(t, z)
v (t, z)
Discussions:
• No radial gradients in velocity, concentration or
temperature.
• [For large diameter pipe and exothermic reaction there
may be radial gradients in temperature.]
• Suppose the reactor has a cooling jacket around the
reactor.
• Heat can be transferred from the process fluid reactants
and products at temperature T to the metal wall of the
reactor at temperature Tm.
• The heat is subsequently transferred to the cooling
water.
• Here we need energy equations for the process fluid,
the metal wall and the cooling water.
Assumptions:
• Potential energy and kinetic energy terms are assumed
negligible.
• There is no work term.
• The simplified form of the internal energy and enthalpy are
assumed.
• Diffusive flow is assumed negligible compared to bulk flow.
• Consider the possibility for conduction due to molecular or
turbulent conduction.
Flow of energy (enthalpy) into boundary at z due to bulk flow

vA C pT
m 2 kg J J
m 3 K 
s m kg.K s

Flow of energy (enthalpy) into boundary at z+dz due to bulk flow

(vA C pT )
vA C pT  dz
z
Heat generated by chemical reaction is

 AdzkCA

Heat generated by metal wall can be as follows, where


hT (J/s. m R) is the heat transfer film coefficient and D
is the dia.of the pipe

hT ( Ddz )(T  Tm )


Heat conduction into boundary at z is as follows, where qz is
the heat flux in the z direction due to conduction and Fourier’s
is used to express qz in terms of a temperature driving force.

qz A
T
qz  kT
z
Where kT ( J/s.m.R) is an effective thermal conductivity.
Heat conduction out at z+dz is as below.

 (qz A)
qz A  dz
z
Now rate of change of internal energy (enthalpy) of the system is

(  AdzC pT )
t

Combining all terms and canceling out Adz from both sides

T
 (  C pT )  (v  C pT )  (kT )
   kC A 
4hT
(T  Tm )  z
t z D z

 4A
N .B. A  D or  D  2

4 D

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