ChE 414 Process Synthesis & Design II

L10b: Optimisation

GD Ingram (2008)

Aims of this lecture

Describe different uses of optimisation in chemical engineering Classify optimisation problems Illustrate linear programs Optimisation in Hysys

Uses of optimisation in chemical engineering

Process flowsheet optimisation
Optimisation of continuous design variables
E.g. reactor conversion, recycle ratio in column, purge to recycle flowrates, temperature profile in reactor

Structural optimisation
Alters the number, types and connections of units E.g. matches in a HEN; combination of mixers, splitters, CSTRs, PFRs in a reactor network

(SSL, p399)

Uses of optimisation in chemical engineering

Data fitting and data reconciliation

Batch plant scheduling

(SSL, p399, CD-ROM)

Types of optimisation problems

Objective function
Single objective function Multi-objective optimisation Unconstrained Constrained
Equality constraints Inequality constraints

min f(x) min f1(x), f2(x), ... simultaneously

Constraints

h(x) = 0 g(x) 0 if f, h and g are all linear in x if not x Rn, xL x xU x Zn, x {0,1}, {1,2,3, ...} x1 Rn, x2 Zm

Linearity

Linear Nonlinear Continuous Discrete (integer) Mixed

Variables

Applications of particular types

LP: Linear programs
Important but restricted class of problems e.g. best mix of products to maximise profit

NLP: Nonlinear programs

Majority of process design problems

MINLP: Mixed-integer nonlinear programs

Used when both structure and parameter values need to be found e.g. superstructure optimisation

LINEAR PROGRAMING (LP)

Minimize J x fi xi d i=1 Subject to (s.t.) xi 0,i 1, ,NV

Nv

objective function

a x
j=1 Nv ij j=1 ij

Nv

b,i 1, i d,i 1, i

,NE ,NI

equality constraints inequality constraints

c x

design variables

The ND design variables, d, are adjusted to minimize f{x} while satisfying the constraints

EXAMPLE LP GRAPHICAL SOLUTION

A refinery produces two crude oils, with yields as below.

Volumetric Yields Crude #1 Gasoline 70 Crude #2 31 Max. Production (bbl/day) 6,000

Kerosene
Fuel Oil

6
24

9
60

2,400
12,000

The profit on processing each grade is: $2/bbl for Crude #1 and $1.4/bbl for Crude #2. a) What is the optimum daily processing rate for each grade? b) What is the optimum if 12,000 bbl/day of gasoline is needed?

EXAMPLE LP SOLUTION (Contd)

Step 1. Identify the variables. Let x1 and x2 be the daily production rates of Crude #1 and Crude #2.

Step 2. Select objective function. We need to maximize profit: J x 2.00x1 1.40x2

Step 3. Develop models for process and constraints. Only constraints on the three products are given:
0.70x1 0.31x2 6, 000 0.06x1 0.09x2 2, 400 0.24x1 0.60x2 12, 000

Step 4. Simplification of model and objective function. Equality constraints are used to reduce the number of independent variables (ND = NV NE). Here NE = 0.

EXAMPLE LP SOLUTION (Contd)

Step 5. Compute optimum. a) Inequality constraints define feasible space.

0.06x1 0.09x2 2, 400

Feasible Space

0.24x1 0.60x2 12, 000

0.70x1 0.31x2 6, 000

EXAMPLE LP SOLUTION (Contd)

Step 5. Compute optimum. b) Constant J contours are positioned to find optimum. x1 = 0, x2 = 19,355 bbl/day

J = 27,097 J = 20,000

J = 10,000

EXAMPLE LP SOLUTION (Contd)

Step 5. Compute optimum - Gasoline demand doubles.

x1 = 10,069 bbl/day, x2 = 15,972 bbl/day

J = 42,500 J = 30,000 J = 20,000
0.70x1 0.31x2 6, 000 0.70x1 0.31x2 12, 000

Aim of this lecture

Outline optimisation in Hysys

Optimisation in Hysys Example: NH3_CONVERTOR_OPT

Subject to: T stream S5 573 K T stream S7 573 K

Maximise mole fraction of NH3 in stream S8 By varying the fractions of flow going to streams CS-1A and CS-2A from TEE-100 within limits 0-0.4 and: combined flow fraction to CS-1A + CS-2A 0.6
(SSL, CD-ROM)

Optimisation in Hysys
Model Analysis Tools Optimization

Optimisation in Hysys
Model Analysis Tools Optimization

Optimisation in Hysys

Optimisation in Hysys
By varying the fractions of flow going to streams CS-1A and CS-2A from TEE-100 within limits 0-0.4

Lecture summary
Optimisation is not just for flowsheet design, it is used in product design, scheduling, data fitting... LPs are important but most chemical engineering applications are NLPs Process simulators contain optimisation facilities
Process model equations become equality constraints Inequality constraints arise from safety and operability concerns, equipment limitations, ... The objective function is probably economic Aspen uses SQP as its default algorithm

References
SSL: WD Seider, JD Seader and DR Lewin (2004) Product & Process Design Principles, 2ed, John Wiley & Sons, New York