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Proceedings of the 5th WSEAS Int. Conf.

on DATA NETWORKS, COMMUNICATIONS & COMPUTERS, Bucharest, Romania, October 16-17, 2006 258

Modeling and Optimization of Ammonia Reactor


using Shooting Methods
1
SUZANA YUSUP , HASLINDA ZABIRI, NOORYUSMIZA YUSOFF, YONG CHIN YEW
Chemical Engineering Programme,
Universiti Teknologi PETRONAS
Bandar Seri Iskandar, 31750 Tronoh, Perak,
MALAYSIA.
1
Corresponding author: +605-3687582 Fax: +605-3656176

Abstract:- Ammonia production depends on temperature of feed gas at the top of the reactor (top
temperature), the partial pressures of the reactants and the reactor length. The optimal design problem
requires obtaining the optimal reactor length with maximum economic returns corresponding to a top
temperature of 694K. This paper presents an alternative approach in solving the boundary value problem and
at the same time determines the optimal solution. Shooting methods, namely single and multiple-shooting
methods are used. The software used for this modeling is MATLAB version 6.1. The ordinary differential
equation (ODE) integration routine technique used is ode45 and the optimization routine of FMINCON is
selected for multiple-shooting. The profiles of N N2 , Tf and Tg at a top temperature of 694K were generated.
From the results obtained, this temperature yields an objective function value of $5.015 x 10 6 per year at an
optimum reactor length of 6.695m. The objective function and reactor length values agree with the latest
literature work using Differential Evolution (DE) approach, and multiple-shooting performs better than
single-shooting under bad initial guesses of the reactor length.

Keywords: Single-shooting, Multiple-shooting, Ammonia Reactor Optimization, Reactor Length

1 Introduction The unreacted gas mixture is returned to the


reactor. The production of ammonia depends on
Ammonia is a major commodity chemical. Most the temperature of the feed gas at the top of the
of the worlds ammonia production is used for reactor i.e. top temperature, the partial pressures of
fertilizers. It is also used in the manufacturing of the reactants, and the reactor length. The optimal
explosives and other important chemicals and design problem requires obtaining the optimal
products. As a result of that, modeling and reactor length with maximum economic returns
optimizing ammonia synthesis has received a lot corresponding to the various top temperatures.
of attention among the process industries. In Simulation models for ammonia synthesis
modern ammonia plants, ammonia is produced converters of different types have been developed
based on Habers process: for design & optimization [1, 2, 3, 4].
3 H2 (g) + N2 (g) 2 NH3 (g)
H = -92 KJ/mol According to Babu, B.V et. al [4], Upreti, et. al [3]
used Murases formulation with correct objective
function and correct stoichiometric expressions of
Ammonia synthesis using the Haber process is
restricted by unfavourable position of the chemical the partial pressures of N2, H2 and NH3. Upreti, et.
equilibrium and by the relatively low activity of Al [3] used simple GA in combination with GEAR
the promoted iron catalysts. Even at high pressures package of NAG librarys subroutine, D02EBF, for
the optimization of ammonia synthesis reactor.
such as 30 MPa, not more than 20-25% of the
However, there is a contradiction in the
synthesis gas is converted to ammonia per pass.

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Proceedings of the 5th WSEAS Int. Conf. on DATA NETWORKS, COMMUNICATIONS & COMPUTERS, Bucharest, Romania, October 16-17, 2006 259

temperature and gas flow rate profiles obtained. o The heat capacities of the reacting gas
Babu, B.V et. al [4] claimed that DE is an and feed gas remains constant
improved version of simple GA which is faster, o The catalytic activity is uniform along the
robust and more likely to a functions true global reactor and equal to unity
optimum. They used Nested DE in choosing the o The pressure drop across the reactor is
right combination of the DE key parameters. This negligible compared with the total
paper presents an alternative approach using pressure in the system
shooting methods to determine the optimal reactor
length and systems objective function subject to a 2.1 Objective Function
number of equality constraints involving solution The objective function depicts the economic return
of coupled differential equations. based on the difference between the value of the
product gas and the feed gas less the amortization
of reactor capital costs. Similar objective function
2. Problem Formulation for the process is adopted from Babu, B.V et. al
The formulation used in this paper is similar to [4];
Babu, B.V et. al [4] and Upreti, et. al [3]. In the f (x, N N2 ,T f ,Tg ) = 1.33563 107 1.70843 104 N N2 +
study by Upreti, et. al [3] by using GAs, it is found
that for the range of top temperature of the reactor 704.09(Tg T0 ) 699.27(T f T0 )
(from 668K to 706K), the profit corresponding to
[3.45663 x 107 + 1.98365 x 109 x]1/2
the optimal reactor length is increased
monotonically. The optimal reactor length at a top
temperature of 668K increases from 0.63m (1)
to5.31m. Typical economic return from the reactor 2.2 Energy Balance Equation
operation with a top temperature of 694K an d Equations (2)-(6) are the energy balances that need to
6
5.33m reactor length is about $4.23 x 10 per year. be satisfied in order to get the value of the three
Babu et. al [4] extended the study on the variables: Tf, Tg and N N2 .
optimization of an auto-thermal ammonia 1
synthesis reactor design by using DE method. dT f = US (Tg Tf ) (2)
They solved three-coupled differential equations dx WC pf
using NAG subroutine (D02EJF) in MATLAB. 2 2

The step sizes of 0.01 and 0.001 are used instead dTg US ( H )S dN N
of that used by Upreti et. al. [3] who used only
= WC (Tg Tf ) +
1

0.01.The optimization Quasi-Newton (QN) dx dx


method is used along with the above subroutine. pf WC pg
The results of their study give an optimum reactor (3)
length of 6.79m with a top temperature of 694K
dN p
1.5
p
p
1 2
N2
= fk N2 H2 NH3 (4)
and an optimum objective function of $4.84 x 106 1.5
k
per year.
dx p p
NH3
The current work proposes an alternative way to H2

determine the optimal value of objective function where


and reactor length using the shooting methods 4
20800
(single and multiple shootings) . The following
k
assumptions were made to simplify the 1 = 1.78954 10 exp (5)
development of the ammonia reactor model: RTg
o The rate expression is valid 16
47400
o Longitudinal heat and mass transfer can
be ignored k
2 = 2.5714 10 exp (6)
o The gas temperature in the catalytic zone RTg
is also the catalyst particle temperature

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Proceedings of the 5th WSEAS Int. Conf. on DATA NETWORKS, COMMUNICATIONS & COMPUTERS, Bucharest, Romania, October 16-17, 2006 260

2.3 Equality Constraints


The partial pressures that appear in the above x1
energy equations are computed as shown in x0
equation (7):
p = 286NN2
2.598NN2 + 2N
N2

N2

p = 3p S0 S1
H2 N2

286(2.23N 2N ) Fig. 1: Illustration of multiple shooting with 2


p NH
= N20 N2 intervals
32.598N + 2N NN
20 2

The boundary conditions are: Table 1: Initial Condition (S0, S1) and Initial Guessed (X0
Tf (x = 0) = T0 ; Tg (x = 0) = Tf ; and X1) Values for multiple shooting with 2 intervals
N (x = 0) = 701.2kmol S0 X0 S1 X1
N 701.2 500 510 450
N2
2 2
N2 m h (kmol/m h)
Tf (K) 694 540 550 410
Tg (K) 694 725 730 430
2.4 Inequality Constraints
The upper and lower bounds of the design
variables are as follows: x3
0 kmol N N2 3220 kmol ;
x2 x4

m2h m2h x1
400K Tf 800K ; 0m x 10m
Since the reaction gas temperature (Tg) depends on
the nitrogen mass flow rate ( N N2 ), feed gas
S0 S1 S2 S3
temperature (Tf) and reactor length ( x ), there is
no need to implicate any boundaries on Tg. Fig 1-3 Fig. 2: Illustration of multiple shooting with 4
show illustrations of multiple shooting method intervals
with 2, 4 and 8 intervals respectively. Table 1,2,
and 3 list the initial conditions and guesses for all
variables used in the modeling for multiple
shooting with 2, 4 and 8 intervals respectively.
x8
x6 x7
x4 x5
x1 x2 x3

S0 S1 S2 S3 S4 S5 S6 S7

Fig. 3: Illustration of multiple shooting with 8


intervals

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Proceedings of the 5th WSEAS Int. Conf. on DATA NETWORKS, COMMUNICATIONS & COMPUTERS, Bucharest, Romania, October 16-17, 2006 261

Table 2: Initial Condition (S0, S1) and Initial Guessed (X0 and X1) Values for multiple shooting with 4 intervals
S0 X1 S1 X2 S2 X3 S3 X4
2 701.2 550 540 505 500 498 498 490
N N2 (kmol/m h)
Tf (K) 694 640 635 505 500 370 360 200
Tg (K) 694 800 790 730 725 600 590 420

Table 3: Initial Condition (S0, S1) and Initial Guessed (X0 and X1) Values for multiple shooting with 8 intervals
S0 X1 S1 X2 S2 X3 S3 X4 S4 X5 S5 X6 S6 X7 S7 X8
N 701.2 610 600 550 545 510 505 503 500 498 496 495 494 493 492 491
N2

(kmol
2
/m h)
Tf (K) 694 675 670 635 630 575 570 505 500 415 410 370 365 280 275 200
Tg 694 765 770 800 790 760 755 730 725 660 650 600 590 500 490 420
(K)

and argon (4 mole %) enters the bottom of the


reactor and is preheated by the counter-current
3. Methodology flowing reaction gas before reversing its flow to
undergo reversible exothermic reaction in the
421 C catalyst basket where ammonia is produced. The
reacted gas that consists of unconverted nitrogen
and hydrogen, ammonia and inert will react with
Heat Flow Tube wall
the entering feed gas before leaving at the bottom
of the reactor. The objective function depends on
( Q)
Catalyst Zone Cooling Zone four variables ( x , N N2 , Tf and Tg).
There are three differential equations and four
X

Reacting Gas (Tg) Feed Gas (Tf)


variables, making the degree of freedom equal to
one. By specifying the length of reactor, the
Heat Exchanger
remaining variable can be calculated using the
Product gas Feed gas
system model and set these variables as an input to
the optimization routine as shown in Figure 5.
(NH3 17-22%) (200-350 atm)

Fig. 4 : Schematic diagram of an ammonia react


The software used for modeling is MATLAB
Figure 4 shows the schematic diagram of the Version 6.1 and the methods used to solve the
ammonia reactor studied. The feed gas with objective function are multiple shooting method.
nitrogen (21.75 mole %), hydrogen (62.25 mole
%), ammonia (5 mole %), methane (4 mole %),

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Proceedings of the 5th WSEAS Int. Conf. on DATA NETWORKS, COMMUNICATIONS & COMPUTERS, Bucharest, Romania, October 16-17, 2006 262

Differential Equation
Not optimized Solver (Ode45)
( N N , Tf, Tg, and x )
2

Optimization Initial guesses


Routine (N N , Tf, Tg, and x )
2

Optimized
values
Fig.5 : Computational procedures

Single shooting method represents a pure


3.1 Single-Shooting Method sequential approach whereas multiple shooting is
Single shooting method is a simple method to considered as a hybrid approach because the
solve a two-point boundary-value problem. A model equations are solved exactly only on
general two point boundary-value problem can be intervals during the solution iterations. Therefore
written as shown below; direct single shooting method only requires two
dy boundary initial value guesses (i.e. a and b)
= f (x, y); a x b
whereas multiple shooting approach requires
dx
initial guesses for all the node values (i.e. x1, x2
and x3) . The disadvantage of single shooting
where A and B are m n matrices with rank ( A ) method is there can be serious problems with the
+ rank ( B ) = n accuracy. The problems occur when making the
correction to the calculated vector. This vector is
A study for solving two-point boundary-value
usually corrected using a modified Newtons
problem was done by R. Holsapple, R.
Method and in practice, the system must be
Venkataraman and D. Doman, (2003). By linearized to use this method. If error is large, then
converting equation (5) into an initial-value convergence can be quite slow. This drawback can
problem (IVP); be fixed by implementing multiple-shooting
y(a) = ya method.
where ya is composed of known states from Ay(a)
3.2 Multiple Shooting Method
= and guesses for the unknown s0 . Multiple-shooting serves as a bridge between
sequential approaches and simultaneous
n
Now, y(x) , m , p . Let approaches. This technique has the same
underlying approach as single shooting, but the
s0 nm be the guess for the unknown initial integration is done over many intervals where in
conditions and sk , where k 1 subsequent this case refers to the length of the ammonia
reactor. The TWO main steps in carrying out this
corrections of the vector s0 . Integration can then technique are;
be performed from point x = a to x = b . The error, i) control representation/ discretization
ii) state discretization by multiple-shooting
e = By(b) 2 is then computed to
make correction to the initial guess s0 to yield s1 . For multiple-shooting (Fig. 1-3), the length of the
This integration is repeated over again until e < , reactor is partitioned into smaller length elements
where > 0 is small. and the differential algebraic equation (DAE)
models are integrated separately in each element.

5
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Proceedings of the 5th WSEAS Int. Conf. on DATA NETWORKS, COMMUNICATIONS & COMPUTERS, Bucharest, Romania, October 16-17, 2006 263

Equality constraints are added to the nonlinear for i = 0,1,, N 1


program in order to link the elements and ensure
that the states are continuous across each element. and t0 < 1 < < N < t f
Inequality constraints for states and controls can
be imposed directly at the grid points. Hence the control trajectory is then
parameterized by a piecewise
approximation of the control ui defined by
In multiple-shooting strategy, the following b

]
ui = i ( , qi ) for [ i , i+1 (7)
general dynamic optimization problem is
considered:
Min (z(t f ), x(t f ), u(t f ), t f , ) (1)
using N local control parameter
z(t), x(t), u(t), t f ,
vectors qi, where q0, q1, , qN-1
Subject to DAE model: The functions i are given basic functions,
typically vectors of polynomials. If
piecewise constant approximation is
dx = f (z(t f ), x(t f ),u(t f ),t f , ) , t I (2) chosen, then i ( , qi ) = qi .

dt
where 0 = G(z(t), x(t),u(t),t, ) , t I Step 2: State discretization by multiple shooting
Introduced N+1 additional vectors s0, s1, ..,
sN, where si = combination of siz and six.
Initial conditions: The dimension is the same as the system
state. These are also known as multiple
shooting node values. All but the last
(3) value serve as initial values for the
x(0) = x0
resulting N independent decoupled IVP on
the intervals Ii:
dxi = fi (zi ( ), xi ( ), i ( , qi ), )
As well as general inequality constraints (state and d
control): (8)
0 h(z(t), x(t),u(t), ) for [ i , i+1 ]
(4)
(9)
0 = Gi (zi ( ), xi ( ), i ( , qi ), )
In addition, terminal constraints (if any):
0 = r(x(t f )) (5) x z
Gi (si , si , i ( , qi ),

x
The functions f, G, h and r are assumed to be twice xi ( i ) = si (10)
z
continuously differentiable, tf > t0, and the initial zi ( i ) = si (11)
conditions x0 and the model parameters are known
and fixed. The following paragraph shows the
steps involved in the application of multiple
shooting method.
Step 1: Control representation/ discretization Additional constraints:
Let the initial time horizon I = [t ,t ]
0 f 1- The decoupled IVP are connected by
Divide into N subintervals, continuity (or matching) conditions, i.e.
Ii = [ i , i+1 ] (6) each node value should equal the final

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Proceedings of the 5th WSEAS Int. Conf. on DATA NETWORKS, COMMUNICATIONS & COMPUTERS, Bucharest, Romania, October 16-17, 2006 264

value of the preceding trajectory: as well as terminal point (if any)


x (17)
s i+1 = xi(i+1; si, qi), 0 = r(sN )

i = 0, 1, . N-1
To carry out both shooting strategies, MATLAB
2- The first multiple shooting node variable version 6.1 is chosen as the platform for the
s0 must be equal to the initial value x0 of implementation, utilizing the ODE integration
the optimization problem (this applies routine plus the optimization solver available.
only when we are considering optimal
trajectory problems, otherwise this is not a
necessity), sx0 = x0.
4. Results and Discussions
The constraints are not necessarily satisfied during 4.1 Single Shooting
the optimization iterations. Multiple shooting can Four MATLAB programming files were
deal with infeasible initial guesses of the variables developed to model and optimize the ammonia
si and qi. reactor. From the profiles obtained, it is found out
that the optimum reactor length is 6.695m and the
corresponding objective function is $5.015 x 106
The algebraic equations (i.e. equation (9)) in each per year. The corresponding values of N N2 , Tf and
multiple shooting interval have an additional
subtrahend term. This is called as a relaxed version Tg are shown in Table-4.
of the original DAE and allows for inconsistent
x z 4.2 Multiple-Shooting
initial values s i and s i.
Summarizing, the finite dimensional NLP in the For multiple shooting, four MATLAB
direct multiple shooting parameterization is given programming files were developed to model and
by: optimize the ammonia reactor. Figures 8, 9 and 10
N 1 shows the resulting profiles at different number of
Min Li (si x , si z , i ( , qi ), ) + E(s x N , ) intervals. Data from the graphs are shown in
(12) Tables 5, 6 and 7 respectively.
i =0
From Table-8, it is clear that irrespective of the
q, s number of interval, the same optimized values for
The expression in (12) is further minimized objective function ($5.015 x 106 per year) and
subject to the following continuity conditions: reactor length (6.695m) were obtained. This
x consistency authenticates the robustness of the
s i+1 = xi ( i+1 ) , for i = 0,1,, N 1 (13)
multiple shooting method regardless the number of
initial conditions: intervals.
s
x
0 = x0 (14)
Various initial guesses of N N2 , Tf, Tg and reactor
consistency conditions: length, x have been used to test the robustness for
this multiple shooting method including initial
x z
0 = G(si , si , i ( , qi ), , for i = 0,1,, N guesses which are beyond the upper and lower
boundaries. It is found that for multiple shooting,
(15) regardless the initial guess values of reactor
length, the objective function and optimum reactor
Control and path constraints are imposed point- length remain the same. Hence, this shows that
wise at the multiple shooting nodes: multiple shooting is robust in solving non-linear
x z
h(si , si , i ( ,qi ), ) 0 , for i = 0,1,, N programming problems.

(16)

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Proceedings of the 5th WSEAS Int. Conf. on DATA NETWORKS, COMMUNICATIONS & COMPUTERS, Bucharest, Romania, October 16-17, 2006 265

Table-4: Results obtained from optimization using single-shooting


2
Reactor Length, z (m) N (kgmol/m h) Tf (K) Tg (K)
N2
0 701.20 694 694
6.695 490.84 400 629.65

Profiles at a top temperature of 694K for 4 intervals

900
800

Tg
700
600

NN2, Tf and
NN2
500
Tf
400
300 Tg

200
100
0
0 2 4 6 8
Reactor Length (m)

Fig.9 : Profiles for four intervals using multiple


Fig. 7: Profiles for single shooting
shooting

Profiles at top temperature of 694K for 2 intervals


Profiles at a top temperature of 694K for 8 intervals

900
900
800
800
Tg

700
Tg

700
600 NN2
600
NN2, Tf and

,NN2 Tf and

500 NN2
Tf 500
400 Tf
Tg 400
300 Tg
300
200
200
100
100
0
0
0 2 4 6 8
0 2 4 6 8
Reactor Length (m)
Reactor Length (m)

Fig.8 : Profiles for two intervals using multiple- Fig.10: Profiles for eight intervals using
shooting multiple-
shooting

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Proceedings of the 5th WSEAS Int. Conf. on DATA NETWORKS, COMMUNICATIONS & COMPUTERS, Bucharest, Romania, October 16-17, 2006 266

Table-5: Results obtained from optimization for two intervals


Reactor Length, z (m) N (kgmol/m2h) Tf (K) Tg (K)
N2

0 701.20 694 694


3.348 528.14 592.39 778.97
6.695 490.84 400 629.65
Table-6: Results obtained from optimization for four intervals

Reactor Length, z (m) N 2


(kgmol/m h)
N2 Tf (K) Tg (K)
0 701.20 694 694
1.674 578.79 665.89 797.14
3.348 528.14 592.39 778.97
5.021 500.09 501.20 719.10
6.695 490.84 400 629.65
Table-7: Results obtained from optimization for eight intervals

Reactor Length, z (m) N (kgmol/m2h) Tf (K) Tg (K)


N2

0 701.20 694 694


0.837 644.81 687.65 748
1.674 578.79 665.89 797.14
2.511 546.83 631.97 797.93
3.348 528.14 592.39 778.97
4.185 512.08 548.49 752.98
5.021 500.09 501.02 719.10
5.858 493.45 451.14 677.15
6.695 490.84 400 629.65

Table-8: Summary of number of intervals, time taken, profit and optimal reactor length for initial
guess of 7m.

Number of Number of Time taken for Objective Optimal


intervals iterations optimizer to terminate function, Reactor
successfully (s) ($/yr) Length (m)

2 4 2.17 6 6.695
5.015 x 10
4 5 5.83 6 6.695
5.015 x 10
8 5 19.00 6 6.695
5.015 x 10

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Proceedings of the 5th WSEAS Int. Conf. on DATA NETWORKS, COMMUNICATIONS & COMPUTERS, Bucharest, Romania, October 16-17, 2006 267

4.3 Comparison With Previous Studies 5. Conclusion


A top temperature of 694K is the top temperature In this study, an alternative approach of solving an
of interest in previous optimization studies [4]. optimal design problem for an ammonia reactor to
Hence, this temperature is the benchmark for give maximum economic using shooting methods
initial condition for the shooting methods. By has been carried out. Both shooting methods have
comparing the result with previous studies, the been demonstrated to be able to give accurate
objective function and reactor length values show results of reactor length 6.695m with
similarities with the study done by Babu, B.V et. 6
corresponding profit of $5.015 x 10 per year.
al [4] using Gears method (GEAR) with These values agree considerably well with those
Differential Evolution (DE) see Table 9. The obtained by recent study of Babu, B.V et. al [4]
result given by shooting strategies as found in this using different approach. It has also been found
study agrees considerably well with the values as that by increasing number of intervals, the
reported by [4]. robustness of multiple-shooting strategy increases
in comparison with single-shooting, especially to
Table 9: Optimum reactor length and objective poor initial guesses. The convergence time also
function values comparison increases with respect to the number of intervals.
Methods Optimal Objective This successful application of the multiple-
used Reactor function value, shooting method for the optimal design of
Length, (m) ($/yr) ammonia synthesis reactor indicates that this
6
GEAR with 6.790 4.848 x 10 approach has great potential and can be applied to
DE [4] advantage in all the highly non-linear and complex
6
Single 6.695 5.015 x 10 engineering problems.
Shooting
Multiple 6.695 5.015 x 10
6
6. Nomenclature
Shooting
Variables
4.4 Single Shooting Vs. Multiple Shooting x (independent) Reactor Length, m

Varies initial guesses of N N2 , Tf, Tg and reactor NN2 Mole flow rate of N2 per area catalyst, kg mol/(m2 h)

length, x have been used to test the robustness for Tf Temperature of feed gas, K

both method including initial guesses which are Tg Temperature of reacting gas,K

beyond the upper and lower boundaries. It is found


that single shooting fails when reach to a reactor Parameters
length of 17m. For multiple shooting, this failure Cpf Heat Capacity of the feed gas = 0.707 kcal/kgK
does not exist. Hence, this shows that multiple Heat Capacity of reacting gas = 0.719 kcal/kgK
Cpg
shooting is more stable than single shooting in f() Objective function $/year
solving non-linear programming problems. f Catalyst activity = 1.0
Table-10: Comparison in robustness and stability H Heat of reaction = -26 000 kcal/kg mol N2
of both shooting methods N Mass flow of component through catalyst zone, kg
Initial Single Shooting Multiple Shooting mol/m2.h
guess Objective Reactor Objective Reactor Hours of operation per year, 8330
of Function Length Function Length N1
p Partial pressure of component, psi and reactor pressure is
reactor (m) (m)
286 psia
length R Ideal gas constant, 1.987 kcal/kg mol K
(m)
Surface area of catalyst tubes per unit length of reactor =
10 $5.015 x 6.695 $5.015 x 6.695 S1
6 6 10m
10 / year 10 / year Cross sectional area of catalyst zone = 0.78 m2
15 $5.015 x 6.695 $5.015 x 6.695 S2
6 6 Reference temperature = 421C( 694 K)
10 / year 10 / year To
Overall heat transfer coefficient = 500 kcal/hm2K
17 Failed Failed $5.015 x 6.695 U
106 / year

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Proceedings of the 5th WSEAS Int. Conf. on DATA NETWORKS, COMMUNICATIONS & COMPUTERS, Bucharest, Romania, October 16-17, 2006 268

W Total mass transfer flow rate = 26 400 kg/ h

A scalar objective function


[7] Eymery J. (1964). Dynamic behavior of an
Differential equation constraints
f ammonia synthesis reactor. (D.Sc. thesis). MIT
Algebraic equation constraints
G
Differential state profile vectors
x [8] R. Holsapple, R. Venkataraman and D.
z Algebraic state profile vectors Doman, (2003). A Modified Simple Shooting
u Control state profile vectors Method for Solving Two-Point Boundary -Value
A time-dependent parameter vector Problems, Vol. 6, pp. 2783-2790, Proc. IEEE
r Describes the end-point constraints Aerospace Conference, Big Sky, MT.
The fixed time horizon being considered
I

7. References
[1] A. Murase, H. L. Roberts, and A. O.
Converse (1970). Optimal Thermal Design of an
Autothermal Ammonia Synthesis Reactor,
Industrial & Engineering Chemistry Research, 9,
503-513.
[2] Edgar, Thomas F.; Himmelblau, David M.
and Lasdon, Leon S. (2001). Optimization of
Chemical Processes. New York, McGraw-Hill.

[3] S.R. Upreti, & K. Deb, (1997). Optimal


Design of an Ammonia Synthesis Reactor using
Genetic Algorithms, Computers & Chemical
Engineering, 21, 87-92.

[4] B. V. Babu, Rakesh Angkira & Anand


Nilekar, (2004). Optimal Design of an Auto-
thermal Ammonia Synthesis Reactor using
Differential Evolution, The Eight World Multi-
Conference on Systematic, Cybernatics and
Informatic SCI, Orlando, Florida, USA, 18-21
July, 2004, pp132-137.

[5] Yusup. S., Yusoff. N., Zabiri, H., Ansary S.,


(2005). Sequential Modeling and Optimization of
an Ammonia Reactor, International Conference
of Chemical & Bio-process Engineering
(ICCBPE/SOMChE), 7-11 December 2005,
Sabah.

[6] Zabiri, H. (2005). Multiple-shooting strategy


for Optimal Control System Design of
Differential-Algebraic equations systems,
International Conference of Chemical & Bio-
process Engineering (ICCBPE/ SOMChE), 7-11
December 2005, Sabah.

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