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PROCESS CONTROL ASSIGNMENT

By 497/IC/07

Mathematical model of CSTR

Fig 1: Continuous Stirred Tank Reactor

A continuous stirred tank reactor system is considered as shown in figure in which:


Fi : Volumetric flow rate of input to CSTR
F : Volumetric flow rate of output from CSTR
Ti : Temperature of input
T : Temperature of output
CAi : Input concentration of A
CA : Output concentration of A/B
FCO : Volumetric flow rate of coolant
TCO : Temperature of coolant
H : Height of liquid in the tank
A : Area of tank

A simple exothermic reaction takes place with the conversion of A to B in turn cooled by
a coolant which flows through a jacket around the reactor.
By applying the law of conservation on the three fundamental quantities :

Total mass balance :

Accumulation of total mass =


Time

Input of total mass + Output of total mass  Total mass generated/consumed


Time Time Time

d(V)/dt = Fi - F

or, d(V) /dt = Fi – F (1)

Mass balance on component A

Accumulation of A = Input of A + Output of A  Disappearance of A due to reaction


Time Time Time Time

d(CAV)/dt = CAiFi – CAF – rV


CAd(V)/dt + Vd(CA)/dt = CAiFi – CAF – ko.e-E/RT.CAV
Vd(CA)/dt = CA(F – Fi) +CAiFi – CAF - ko.e-E/RT.CAV
d(CA)/dt = Fi(CAi – CA)/V - ko.e-E/RT.CA (2)

Total energy balance

Accumulation of total energy =


Time
Input of total energy with feed
Time
+ output of total energy with outlet  energy removed by coolant
Time Time

Total energy of the reacting mixture is

E= U + K + P

Where U =internal energy


K =kinetic energy and
P =potential energy of the reacting mixture.
Reactor doe not move
dK=0 and dP=0
Therefore,
dE/dt = dU/dt
dE/dt dH/dt ( accumulation of the total enthalpy in the system per unit time )
dH/dt = .Fi.hiTi - .A.F.h.T
dH/dt = H/t.dT/dt + H/(nA). d(nA)/dt + H/(nB). d(nB)/dt

H/T = VCP
H/nA = HA.T
H/nB = HB.T

d(nA)/dt = d(CAV)/dt = CAiFi – CAF – rV


d(nB)/dt = d(CBV)/dt = 0 – CBF + rV

dH/dt = VCP.dT/dt + HA[CAiFi – CAF – rV] + HB.[ – CBF + rV]

Fi. .hi.Ti = Fi[.hi.T + .CP(Ti – T)] = Fi[CAi. HA.T +.CP(Ti-T)]


And
FhT = F[ CA HAT + CB HBT]

Using the above relations:

VCP.dT/dt = Fi. .CP (Ti-T) + (HA – HA).rV – Q


VdT/dt = Fi (Ti - T) + (-H).rV/(.CP) – Q/(.CP)

dT/dt = Fi(Ti – T) + Jkoe-E/RT CA – Q/(. CPV) (3)

where J = -H.r.h/(.CP)

We obtain the mathematical model as –

State variables—V, CA , T
State Equations--
d(V)/ dt = Fi – F
d(CA)/dt = Fi(CAi – CA)/V - ko.e-E/RT.CA
dT/dt = Fi(Ti – T) + Jkoe-E/RT CA – Q/(. CPV)

where J = -H.r.h/(.CP)

Output variables—V, CA, T


Input variables – CAi, Fi, Ti, Q
Disturbances -- CAi, Fi, Ti
INPUT- OUTPUT MODEL OF CSTR

The equations deduced above can be written as:

d(cAi)/dt = (cAi - cA)/τ - k0e-E/RTcA


dT/dt = (Ti – T)/τ – UAt(T-Tc)/ρVcp + Jk0e-E/RTcA/ρcp
where τ =V/ Fi and J=(HA-HB)
In the second equation we need to linearize the term k0e-E/RT, so

k0e-E/RT CA= k0{[e-E/RT(0)C0 ]+ {δ [e-E/RT CA]/ δT }T(0),c(0)(T – T0) +

{δ [e-E/RT cA]/ δc }T(0),c(0)(cA – c0)}

= k0{[e-E/RT(0)co] + E e-E/RT c0(T – T0) /RT02 + e-E/RT(0) (cA – c0)}


Now,
d(cAi)/dt = (cAi - cA)/τ - k0{[e-E/RT(0)co]+E e-E/RT c0(T – T0) /RT02 + e-E/RT(0) (cA – c0)}---(4)
dT/dt = (Ti – T)/τ – UAt(T-Tc)/ρVcp + Jk0{[e-E/RT(0)co] + E e-E/RT c0(T – T0) /RT02 +
+ e-E/RT(0) (cA – c0)} --- (5)
Applying steady state conditions
0 = (cAi ,0 – c0)/τ – k0[e-E/RT(0)co]----------------------------------------------------(6)
0 = (Ti,0 – T0)/τ – UAt(T0-Tc,0)/ρVcp + Jk0[e-E/RT(0)co]---------------------------(7)
Subtracting 6 and 7 from 4 and 5 resp.
d(cAi)/dt = {(cAi - cAi ,0) - (cA – c0)}/τ–k0{ E e-E/RT c0(T – T0) /RT02+e-E/RT(0) (cA-c0)}
dT/dt = {(Ti -Ti,0 )–(T- T0)}/τ - UAt{(T-T0)-(Tc -Tc,0)}/ρVcp +Jk0{Ee-E/RT
c0(T – T0) /RT02 + e-E/RT(0) (cA – c0)}

d(cAi’)/dt = (cAi’ - cA’)/τ - k0{E e-E/RT (0) c0T’ /RT02 + e-E/RT(0) cA’}
dT’/dt = (Ti’ – T’)/τ - UAt(T’-Tc’)/ρVcp +Jk0{Ee-E/RT c0T’/RT02 + e-E/RT(0) cA‘}
Where
cAi’= cAi - cAi ,0
cA’= cA – c0
T’= T-T0
Ti’= Ti -Ti,0
Tc’= Tc -Tc,0
Mathematical modeling of a mixing process

CA1, T1, F1 CA2, T2, F2

CA3, T3, F3

Two streams are mixed in a well-stirred tank, producing a product outlet stream where

CA1 – molar concentration of A in stream 1


CB1 – molar concentration of B in stream 1
F1 – volumetric flow rate of stream 1
T1 – temperature of stream 1
CA2 – molar concentration of A in stream 2
CB2 – molar concentration of B in stream 2
F2 – volumetric flow rate of stream 2
T2 – temperature of stream 2

CA3 – molar concentration of A in stream 3


CB3 – molar concentration of B in stream 3
F3 – volumetric flow rate of stream 3
T3 – temperature of stream 3
ρ – density of liquid in stream 1, 2 and 3
V – volume of the tank
A – area of the tank
h – height of liquid in tank

Each of the two feed streams is composed of two components A and B. a coil is also
immersed in the liquid of the tank and it is used to supply heat to the system with steam
or remove heat with cooling water.
Fundamental quantities required are:
1. Total mass in the tank
2. Amounts of components A and B in the tank

3. Total energy

4. Momentum of the material in the tank

NOTE: Since the tank is stationary therefore the momentum is constant.

Total Mass in the Tank

Accumulation of total mass in tank= input of total mass in tank-output of total mass
Time time time

d(V)/dt = 1F1 + 2F2-3F3

ρ1=ρ2=ρ3

V=A.h

dV=Adh=F1 +F2- F3 (1)


dt dt

Mass balance on component A

Accumulation of A = Input of A + Output of A  Disappearance of A due to reaction


Time Time Time Time
dCAV = CA1F1 + CA2F2 - CA3F3
dt

VdCA + CAdV = CA1F1 + CA2F2 - CA3F3


dt dt

Ca[(F1 + F2) – F3] = (CA1F1 + CA2F2) – CA3F3

Assuming tank is well stirred, therefore CA = CA3

(CA3) = (CA1 – CA3)F1 + (CA2 – CA3)F2 (2)


Total Energy Balance

Accumulation of total energy =


Time
Input of total energy with feed
Time
+ output of total energy with outlet  energy removed by coolant
Time Time
Toal energy E = U + K + P

Since the tank is not moving so

where H is the total enthalpy of the the material in the tank

The total energy balance yields


= ρ(F1h1 + F2h2) - ρF3h3 ± Q

Let T0 be the reference temperature

h3(T3) = h3(T0) + Cp3(T3 – T0)


h1(T1) = h1(T0) + Cp1(T1 – T0)
h2(T2) = h2(T0) + Cp2(T2 – T0)

ρh3(T0) = CA3ĤA + CB3ĤB + CA3 ĤS3(T0)


ρh1(T0) = CA1ĤA + CB1ĤB + CA1 ĤS1(T0)
ρh2(T0) = CA2ĤA + CB2ĤB + CA2 ĤS2(T0)
Substituting we get,

ρCp3V CA1F1[ ĤS1 - ĤS3] + CA2F2[ ĤS2 - ĤS3] + ρF1[Cp1(T1 – T0) – Cp3(T3 – T0)]
+ ρF2[Cp2(T2 – T0) – Cp3(T3 – T0)] ± Q

Assuming Cp1 = Cp2 = Cp3 = Cp , we have

ρCp3V CA1F1[ ĤS1 - ĤS3] + CA2F2[ ĤS2 - ĤS3] + ρF1Cp(T1 – T3) + ρF2Cp(T2 –
T3) ± Q (3)
Thus, we obtain the mathematical model as:

State variables: V, CA3, T3

State equations:
Eqn.s (1), (2) and (3)-

(F1 + F2) – F3

(CA3) = (CA1 – CA3)F1 + (CA2 – CA3)F2

ρCp3V CA1F1[ ĤS1 - ĤS3] + CA2F2[ ĤS2 - ĤS3] + ρF1Cp(T1 – T3) + ρF2Cp(T2 –
T3) ± Q

Input variables: F1, CA1, T1, F2, CA2, T2, F3

Output variables: V(or h), CA3, T3

Constant parameters: ρ, Cp, ĤS1, ĤS2, ĤS3

INPUT-OUTPUT MODEL OF MIXING PROCESS

Assume that F1 + F2= F3 , which implies that dV/dt =0 (i.e. V= constant). The heat of
solutions are independent of the concentration, which implies that

ĤS1 - ĤS3 = ĤS2 - ĤS3 = 0

Then the state equations are reduced to the following:

(CA3) + ( + ) CA3 = ( ) CA1 + ( ) CA2 (4)

(T3) + ( + ) T3 = ( ) T1 + ( ) T2 ± (5)
ρ

At steady state eqs. (4) and (5) yield

0+ (CA3) + ( + ) CA3,S = ( ) CA1,S + ( ) CA2,S (6)

0+( + ) T3,S = ( ) T1,S + ( ) T2,S ± (7)


ρ

Subtract eqn. (6) from (4) and (7) from (5) and take
(C’A3) + a C’A3 = ( ) C’A1 + ( ) C’A2
(8)

(T’3) + a T’3 = ( ) T’1 + ( ) T’2 ± KQ’


( 9)

Where C’A1 , C’A2, C’A3, T’1, T’2, T’3,and Q’ are deviation variables defined as follows:

C’A1 = CA1 - CA1,S C’A2 = CA2 - CA2,S C’A3 = CA3 - CA3,S


And
T’1 = T1 – T1,S T’2 = T2 – T2,S T’3 = T3 – T3,S Q’ = Q – Q,S

Also
a= + and K=
ρ

The solution of eqns (8) and (9) yields

C’A3(t) = c1 . e-at + e-at ∫ [( ) C’A1 + ( ) C’A2 ] dt (10)

T’3(t) = c2 . e-at + e-at ∫ [( ) T’1 + ( ) T’2 ± KQ’ ] dt (11)

If the system is initially (i.e. at t = 0 ) at steady state , then

C’A3(t = 0) = 0 and T’3(t = 0) = 0


And it results in c1 = c2 =0.
Equations (10) and (11) represent the input – output model for the mixing process.
Mathematical modelling of binary distillation column

Binary Distillation Column

Consider a binary mixture of components A and B, to be separated into two product


streams using conventional distillation as shown in figure where
F : feed tray
Ff: molar flow rate (feed tray (mol/min))
Cf: molar concentration fraction of component A
FR: Molar flow rate (reflux stream)
FD: molar flow rate (distillate product)
MRD: liquid holdup in the drum
xD: molar fraction of component A in reflux drum
FB: flow rate of bottom product stream
xB: molar fraction of bottom product stream
N: number of trays in the column
Mi: liquid holdup in ith tray

Assumptions:
1. Vapour holdup on each tray will be neglected.
2. The molar heats of vaporization of both components A and B are approximately
equal. This means that 1 mol of condensing vapour releases enough heat to
vaporize 1 mol of liquid.
3. The heat losses from the column to the surroundings are assumed to be negligible.
4. The relative volatility  of the two components remains constant throughout the
column.
5. Each tray is assumed to be 100% efficient (i.e. the vapour leaving each tray is in
equilibrium with the liquid on the tray).

The first three assumptions imply that


V = V1 = V2 = …………. = VN
And there is no need for enegy balance around each tray.

The last two assumptions imply that a simple vapour- liquid equilibrium relationship
can be used to relate the molar fraction of A in the vapour leaving the ith tray (yi)
with the molar fraction of A in the liquid leaving the same tray (xi):

yi =  xi
-------
1 + (-1)xi

6. Neglect the dynamics of the condenser and the reboiler. It is clear that these two
units (heat exchangers) constitute processing systems on their own right and as
such they have a dynamic behaviour.
7. Neglect the momentum balance for each tray and assume that the molar flow rate
of the liquid leaving each tray is related to the liquid holdup of the tray through
the Francis weir formula:

Li = f(Mi) i= 1,2,…….,f,……N

Feed Tray (i=f)


Total mass
d(Mf)/dt = Ff + Lf+1 +Vf-1 – Lf – Vf = Ff + Lf+1 – Lf

Component A:
d(Mfxf)/dt = Ff cf+ Lf+1xf+1 +Vf-1yf-1 – Lfxf – Vfyf

Top tray (i=N):


Total mass:
d(MN)/dt = FR+VN-1 – LN – VN = FR – LN

Component A:
d(MNxN)/dt = FRxD+VN-1yN-1 – LNyN-1 – VNyN

Bottom Tray (i=1)


Total mass:
d(M1)/dt = L2 - L1 + V – V1 = L2 – L1

Component A:
d(M1x1)/dt = L2x2 + VyB - L1x1 + V1y1
ith tray (i= 1,2,…..,N-1 and if):
Total mass:
d(Mi)/dt = Li+1 - Li + Vi-1 – Vi = Li+1 – Li

Component A:
d(Mixi)/dt = Li+1xi+1 + Vi-1yi-1 – Lixi - Viyi

Reflex drum:
Total mass
d(MRD)/dt = VN - FR - FD

Component A:
d(MRDxRD)/dt = VNyN – (FR + FD)xD

Coulmn base:
Total mass:
d(MB)/dt = L1 - V – FB

Component A:
d(MBxB)/dt = L1x1 - VyB – FBxB

All the above equations are state equations and describe the dynamic beharviour of the
distillation column. The state variables of the model are:
Liquid holdups: M1, M2, ……, Mf,……., MN; MRD and MB
Liquid concentrations: x1,x2,…..,xf,……,xN; xD and xB

To complete the modelling of the column, in addition to the state equations, we need the
following relationships:

1. Equilibrium Relationships:

i=1,2,…….,f,……,N,B

2. Hydraulic Relationships (Francis weir formula):

i= 1,2,……,f,……, N

When all the modelling equations above are solved, we find how the flow rates and the
concentrations of the two product streams (distillate, bottom) change with time, in the
presence of changes in the various input variables.
The modelling steps outlined above indicate that the overall procedure may be tedious
and full of simplifying assumptions. At times the resulting model is overwhelming in size
and the solution of the corresponding equations may be cumbersome.
For the binary distillation column, we have to solve a system of
2N+4 non-linear differential equations (state equations) and
2N+1 algebraic equations (equilibrium and hydraulic relationships).

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