18/05/2020

Diseño de Procesos

Tema: Optimización en Diseño de Procesos Químicos

Parte 1

Curso 2020

M. S. Diaz DyEEP 2020

Formulación General Problema de

Optimización en Diseño
Dado un espacio de alternativas que son especificadas a través de
restricciones en un modelo matemático, seleccionar las variables de
decisión para optimizar una función objetivo

Min Z  f(x, y)
s .t .
h(x, y)  0
g(x, y)  0
x   n , y  {0,1}m

x: variables continuas; y: variables estructurales (asociadas a la existencia o no de unidades o procesos)

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Optimización es una parte fundamental

en Diseño de Procesos

• Maximize project value

• Minimize project costs
• Maximize plant performance subject to cost
constraints
• Select the best components
• Meet customer requirements at minimum cost

Aspectos de Optimización en Diseño

1. Función Objetivo

• In optimization, we seek to maximize or minimize a

quantity called the objective
Min Z  f(x, y)
• The objective can be written as a mathematical function s .t .
of a finite number of variables called the decision h(x, y)  0
variables g(x, y)  0
x   n , y  {0,1}m
• The decision variables may be independent among them
or they may be related via constraint equations

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Funciones Objetivo
· Minimize - project expense
- off-spec production
- plant inventory (for safety reasons)
- total annualized cost
- cost of production
- formation of waste products
- environmental impact

· Maximize - project net present value

- return on investment
- reactor productivity per unit volume
- process yield of main product
- throughput of plant

Aspectos de Optimización en Diseño

2. Restricciones

Equality Constraints Inequality Constraints Min Z  f(x, y)

s .t .
• Laws of physics, chemistry • Technical limits h(x, y)  0
• Design equations • Safety Limits
g(x, y)  0
• Mass & energy balances, etc. • Legal limits
x   n , y  {0,1}m
• Economics
• Market


h  x1 , x2  xn   b1 g  x1 , x2  xn  b
 2

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Ejemplo restricciones de igualdad

m C p T  U A lmtd

C  a  b A 0.6
Min Z  f(x, y)
 c-c *
 k aL s .t .
ln *
   g
 co - c  v
h(x, y)  0
g(x, y)  0
L   v2 
p  4 c f   x   n , y  {0,1}m
d  2 

 1
T2 P  
  2 
T1  P1 

Ejemplo restricciones de desigualdad

T ≤ 650°C
Min Z  f(x, y)
Wt % S ≤ 50 ppm
s .t .
Purity ≥ 99.999% h(x, y)  0
g(x, y)  0
NOx emissions ≤ 50 kg/year x   n , y  {0,1}m

Production ≤ 400 KMTA

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Las restricciones determinan la región factible

Example: Maximize z  x12  2 x22

s.t. x1  x2  5
x2  3 The inequality constraint
limits us to values
x2 below this line

5 x1
0 The equality constraint
limits us to values
on this line

Restricciones insuficientes
Maximize z  x12  2 x22
x2

s.t. x1  x2  5
x2  3
x1
The problem is x1  
“unbounded”,
To infinity x2  
& beyond!
z1  
So no maximum can be found

 Need another constraint, e.g.,

x1 < a or x2 > o
to define a closed search space

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Región factible nula!

Maximize z  x12  2 x22

Subject to: x1  x2  5
x2  3
x1  1 x2

Search space defined

by inequalities has no x1
solution for equality
constraint

Problem is infeasible !

Aspectos de Optimización en Diseño

3. Compromisos

• Usually getting better performance from equipment

means higher cost

• Making something bigger also costs more

More
Cost
More
Benefit

• The objective function must capture this trade-off

between cost & benefit

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Compromisos
Example: Heat Recovery

Total Cost

Energy Cost

Cost

Capital Cost

 T min

Total cost captures trade-off between energy savings and

capital expense

Compromisos más comunes en Diseño

More separations equipment vs Lower product purity

More recycle costs vs Increased feed use & increased waste

More heat recovery vs Cheaper heat exchange system

Higher reactivity at high pres vs More expensive reactors, more compression

Faster reactions vs Product degradation

Marketable by-product vs More plant expense

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Aspectos de Optimización en Diseño

4. Grados de Libertad

• If the problem is
Min z = f (x)
s.t. h (x) = 0
g (x)  0
• Where h (x) = 0 is the set of m equations for the n variables
x1 . . . xn, and g(x)  0 is the set of r inequality constraints,
then
• If m > n the problem is overspecified
• If n > m then n – m is the number of degrees of freedom,
i.e., the number of parameters that can be adjusted
independently to find the optimum.

Restricciones y Grados de libertad

 Engineering insight & physical understanding can often be used

to simplify the optimization problem.

 If we know the behavior of the system well, we can transform an

inequality constraint into an equality

rr-1
mm+1

 One less degree of freedom

 This usually involves moving one parameter to a constraint

boundary

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Restricciones y Grados de libertad

Ejemplo

T2
Cost
T1

T
“Cost decreases with temperature as long as
metallurgy isn’t changed”

• We can write T = T1 as an equality constraint, so T is no longer a

decision variable

• We should also check T = T2 unless we are certain that the cost for
higher metallurgy is excessive.