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By 497/IC/07
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 :
d(V)/dt = Fi - F
E= U + K + P
H/T = VCP
H/nA = HA.T
H/nB = HB.T
where J = -H.r.h/(.CP)
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)
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
CA3, T3, F3
Two streams are mixed in a well-stirred tank, producing a product outlet stream where
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
Accumulation of total mass in tank= input of total mass in tank-output of total mass
Time time time
ρ1=ρ2=ρ3
V=A.h
ρCp3V CA1F1[ ĤS1 - ĤS3] + CA2F2[ ĤS2 - ĤS3] + ρF1[Cp1(T1 – T0) – Cp3(T3 – T0)]
+ ρF2[Cp2(T2 – T0) – Cp3(T3 – T0)] ± Q
ρCp3V CA1F1[ ĤS1 - ĤS3] + CA2F2[ ĤS2 - ĤS3] + ρF1Cp(T1 – T3) + ρF2Cp(T2 –
T3) ± Q (3)
Thus, we obtain the mathematical model as:
State equations:
Eqn.s (1), (2) and (3)-
(F1 + F2) – F3
ρCp3V CA1F1[ ĤS1 - ĤS3] + CA2F2[ ĤS2 - ĤS3] + ρF1Cp(T1 – T3) + ρF2Cp(T2 –
T3) ± Q
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
(T3) + ( + ) T3 = ( ) T1 + ( ) T2 ± (5)
ρ
Subtract eqn. (6) from (4) and (7) from (5) and take
(C’A3) + a C’A3 = ( ) C’A1 + ( ) C’A2
(8)
Where C’A1 , C’A2, C’A3, T’1, T’2, T’3,and Q’ are deviation variables defined as follows:
Also
a= + and K=
ρ
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 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
Component A:
d(Mfxf)/dt = Ff cf+ Lf+1xf+1 +Vf-1yf-1 – Lfxf – Vfyf
Component A:
d(MNxN)/dt = FRxD+VN-1yN-1 – LNyN-1 – VNyN
Component A:
d(M1x1)/dt = L2x2 + VyB - L1x1 + V1y1
ith tray (i= 1,2,…..,N-1 and if):
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
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).