Chapter 1

USES OF OPTIMIZATION
FORMULATION OF OPTIMIZATION PROBLEMS
OVERVIEW OF COURSE

Chapter 1

OPTIMIZATION OF CHEMICAL PROCESSES

T.F. EDGAR, D.M. HIMMELBLAU, and L.S. LASDON
UNIVERSITY OF TEXAS
MCGRAW-HILL 2001 (2nd ed.)
PART I PROBLEM FORMULATION
II OPTIMIZATION THEORY AND METHODS
III APPLICATIONS OF OPTIMIZATION
APPENDICES (MATRIX OPERATIONS)

PHILOSOPHY OF BOOK

Chapter 1

Most undergraduates learn by seeing how a method

is applied
Practicing professionals need to be able to recognize
when optimization should be applied (Problem formulation)
Optimization algorithms for reasonably-sized problems
are now fairly mature
Focus on a few good techniques rather than encyclopedic
coverage of algorithms

Chapter 1

Chapter 1
The Nature and Organization of
Optimization Problems

WHY OPTIMIZE?
1. Improved yields, reduced pollutants

Chapter 1

2. Reduced energy consumption

3. Higher processing rates
4. Reduced maintenance, fewer shutdowns
5. Better understanding of process (simulation)
But there are always positive and negative factors to be
weighed

Chapter 1

Chapter 1

Chapter 1

OPTIMIZATION
Interdisciplinary Field
Max Profit
Min Cost
Max Efficiency
Requires
1. Critical analysis of process
2. Definition of performance objective
3. Prior experience (engr. judgment)

Chapter 1

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Chapter 1

11

Chapter 1

Chapter 1
Min reflux to
achieve separation

Figure E1.4-3

Flooding
constraint

Optimal Reflux for Different Fuel Costs

12

13

Chapter 1

14

Chapter 1

15

Chapter 1

16

Chapter 1

Chapter 1

Material Balance Reconciliation

17

Least squares solution:

P

min (m A + mCi mBi )

Chapter 1

i =1

opt. mA is the average value

any constraints on mA?

18

19

Chapter 1

Chapter 1

THREE INGREDIENTS IN OPTIMIZATION PROBLEM

1. Objective function

economic model

2. Equality Constraints

3. Inequality Constraints

Process model

1. min f(x)

xnx1

2. subject to h( x ) = 0

(m1)

3. g( x ) 0

(m 2 )

(feasible

2
region :)
3

dependent variables

independent variables

relate to m1 and perhaps m 2

20

21

Chapter 1

TABLE 1

Chapter 1

THE SIX STEPS USED TO SOLVE OPTIMIZATION PROBLEMS

1. Analyze the process itself so that the process variables

and specific characteristics of interest are defined, i.e.,
make a list of all of the variables.
2. Determine the criterion for optimization and specify
the objective function in terms of the above variables
together with coefficients. This step provides the
performance model (sometimes called the economic
model when appropriate).

22

Chapter 1

3. Develop via mathematical expressions a valid process

or equipment model that relates the input-output variables
of the process and associated coefficients. Include both
equality and inequality constraints. Use well-known
physical principles (mass balances, energy balances),
empirical relations, implicit concepts, and external
restrictions. Identify the independent and dependent
variables (number of degrees of freedom).

23

Chapter 1

4. If the problem formulation is too large in scope:

(A)Break it up into manageable parts and/or
(B)Simplify the objective function
5. Apply a suitable optimization technique to the
mathematical statement of the problem.
6. Check the answers and examine the sensitivity of the
result to changes in the coefficients in the problem and
the assumptions.

24

EXAMPLES SIX STEPS OF OPTIMIZATION

Chapter 1

specialty chemical
100,000 bbl/yr.
2 costs inventory (carrying) or storage, production cost >

how many bbl produced per run?

Step 1
define variables
Q = total # bbl produced/yr (100,000)
D = # bbl produced per run
n = # runs/yr
25

Step 2
develop objective function

Chapter 1

inventory, storage cost = k1D

production cost

= k2

per run

(set up
cost)

k3

operating
cost per unit

(could be nonlinear)

C = k1 D + n(k 2 + k3 D)
Q
n=
D
Q
C = k1 D + k 2 + k3Q
D
26

Step 3
evaluate constraints

Chapter 1

integer
continuous

D>0
Step 4
simplification none necessary

27

Chapter 1

Step 5
computation of the optimum
analytical vs. numerical solution
dC
k 2Q
= k1 2 = 0
dD
D
kQ
D opt = 2
k1
k1 = 1.0

k 2 = 10,000

k 3 = 4 .0

Q = 105
D opt = 31,622

flat optimum
30,000 < D < 70,000
good answer

check if minimum?
d 2C 2k 2 Q
=
>0
2
3
dD
D

28

29

Chapter 1

suppose cost per run = k 2 + k 4 D1/ 2

Chapter 1

dC
k 2Q k 4Q

= k1 2
=0
3/ 2
dD
D
2D
analytical solution?

Step 6
Sensitivity of the optimum
subst Dopt into C
C opt = 2 k1k 2Q + k3Q
C opt
kQ
= 2
k1
k1

31,620

C opt
k1Q
=
k 2
k2

3.162

C opt
=Q
k3

100,000

C opt
kk
= 1 2 + k3
Q
Q

4.316

30

Chapter 1

opt

k 2Q
=
k1

D opt
k 2Q 1
=
k1
k1 2k1

15,810

D opt
k 2Q 1
=
k 2
k1 2k 2

1.581

D opt
=0
k3

D opt
k 2Q 1
=
Q
k1 2Q

0.158

k1 = 1.0

k 2 = 10,000

k 3 = 4. 0

Q = 100,000
31

RELATIVE SENSITIVITY (Percentage change)

opt
opt
opt

C
/
C

ln
C
S kC1 =
=
k1 / k1
ln k1

Chapter 1

C opt = 463, 240

k1 = 1.0

C opt
kQ
= 2 = 31,620
k1
k1
S kC1 = 0.0683

S kD1 = 0.5

S kC2 = 0.0683

S kD2 = 0.5

S kC3 = 0.863

S QD = 0.5

S QC = 0.932

S kD3 = 0

opt

C
k1
31620(1.0)
C
S k1 =
=
= 0.0683
opt
k1 C
463,240

abs. sens. on D
abs. sens. on C

k1 > k 2 > Q > k3

k3 > k1 > Q > k 2

32

Chapter 1

PIPELINE PROBLEM
variables

parameters

Re

L
&
m

pipe cost

p
f

electricity cost
#operating days/yr
pump efficiency

33

Chapter 1

Equality Constraints

D2
&

v =m
4
Re = Dv /
2 L
p = 2 v
f
D
0.2
f = .046 Re

34

35

Chapter 1

min (Coper + Cinv.)

subject to equality constraints

Chapter 1

L 2
p = 2 f v
D

need analytical formula for f

f = .046 Re 0.2

smooth tubes

p
&
pump power cost = Co m

D
& = mass flow rate =
m
v
4

substituting for p,
4.8 0.2 & 2.8 2.0
Coper = Co D m
Cinv = C1 D

1.5

(annualized )

36

Total cost = TC = Co 0.2 2 m& 2.8 D 4.8 + C1 D1.5

Chapter 1

(constraint eliminated by substitution)

d (TC )
=0
dD
solving,
(D opt )6.3

necessary condition for a minimum

Co 0.2 2 & 2.8

=
m
C1
0.16

C
(D opt ) = o
C1

opt velocity V

.32m& .45 .03

opt

&
m

2
Dopt
4
(sensitivity analysis)
37

optimum velocity

Chapter 1

non-viscous liquids
gases (effect of )

3 to 6 ft/sec.
30 to 60 ft/sec.

at higher pressure, need to use different

constraint (isothermal)

p1

fL ln p2
2
2 p1

p =
.323 +
S1V1
p1 + p2
D
24

S1 = gV1 = upstream velocity

or use Weymouth equation
for large L, ln ( ) can be neglected
exceptions: elevation changes, slurries (settling),
extremely viscous oils (laminar flow, 38
f different)

Chapter 1

Heat Exchanger Variables

(given flow rate of one
1. heat transfer area
fluid, inlet
2. heat duty
temperatures, one
3. flow rates (shell, tube)
outlet temp., phys.
4. no. passes (shell, tube)
props.)
5. baffle spacing
6. length
7. diam. of shell, tubes
8. approach temperature
9. fluid A (shell or tube, co-current or countercurrent)
10.tube pitch, no. tubes
11.velocity (shell, tube)
12.p (shell, tube)
13.heat transfer coeffs (shell, tube)
14.exchanger type (fins?)
15.material of construction
39