Compurers

Printed

Vol. 18, No. 2, PP. 83-102,

them.

Engng,

in Great

Britain.

All

rights

1994

reserved

Copyright

0098-I 354/94
$6.00 + 0.00
1994 Pergamon Press Ltd

NONLINEAR
MODEL
PREDICTIVE
CONTROL
OF A
FIXED-BED
WATER-GAS
SHIFT REACTOR:
AN EXPERIMENTAL
STUDY
T.

G.

of Chemical

Department

(Received

16 November

f99.7; jinal

and T. F.

WRIGHT

Engineering,

The University

revision received

EDGAR

of Texas

2 June

at Austin,

Austin,

TX

78712,

1993; received for publication

U.S.A.

I6 June 1993)

Abstract-This
paper describes new results on the experimental application of nonlinear model-predictive
control (NMPC)
to a fixed-bed
water-gas
shift (WGS)
reactor. The development
and experimental
and how it impacts controller
validation
of an appropriate
first-principles
WGS
reactor model,
performance is discussed. The implementation
of NMPC is computationally
intense, requiring that a large
nonlinear program (NLP)
be solved at each sampling period. The significant computational burden

dictates that a relatively slow sampling rate be used. Infrequent sampling, however, diminishes disturbance
rejection capabilities. To combat this problem, NMPC was implemented in a master-slave
cascade

configuration
where a low-level liner controller, having a significantly faster sampling rate, was employed.
The control study was performed using a PC-based distributed control system (DCS)
One of the three
processors
was dedicated to NMPC
calculations.
A complete and rigorous implementation
strategy is
described in the paper, and the performance
of NMPC
for set-point tracking of this nonlinear process
is shown to be superior to adaptive or linear control. We also illustrate the ease with which NMPC
accommodated
feedforward
control.

1.

algorithm

INTRODUCI-ION

may be difficult to achieve.

deficiency,
The

severity

of the nonlinearities

cesses influences
for successful
of nonlinear
ing point
design.

the selection

control

is a standard

is constrained

to

nonlinear
may

linear

perform

conditions

such

poorly.

of

continuous

of

batch

wide

also

system

for

range

start-up

back.

highly

this

of
or

way

trajectory

prove

difficult

operating

One technique
an adaptive
and past

that attempts

associated
feedback

operating

controller

can

technique

linear

process
change

states

that

applications

In general,

thought

of

has

distinctly

two

variables

the

model-based

feedback
states

the resulting

first

such

to

employ

advanced

been

via state or output

feed-

formations

required

a nonlinear

temperature

or

takes

that,

state

under

dynamic

system

control

of

successful

of

in

The

predictive

seek

often

computer
models

A control

fail to
broadly

capabilities
for

real-time

strategy

power

control

strategy

objective

horizon

which

and

model-predictive

of an open-loop

a finite

this

a more

a repeated optimization
over

was

While

level of robustness

of the increased

is nonlinear

which

strategy.

rigorous

and control.

advantage

(NMPC).

speed

control
involves

performance

extending

from

the

current time into the future as done for linear model-

have been reported

control

use

was

the necessary trans-

for implementation

improvements

the

ex-

(1978)

ef al. (1983).

we

an

output

becomes

methodology,

control

transinto

or

Brockett

appealing,

Hence,

nonlinear

of computers

on very

concentration)
many

error.

optimization

different

the parameters

model

involves
system

this

is intuitively

permit

is the

have

a nonlinear

by Hunt

technique

Recent

an adap-

further

strategies

theory

linearization

of

feedback,

to

for
which

control

geometric

system

applicable

uses

with time, whereas the

faster rate. While

successful

as

operating

Presumably,

of adaptive

in the literature,

for the

law based upon current

vary slowly

(e.g.

at a much

to compensate
linear controllers

control
be

time scales.

the process model

with

conditions.

types of time-dependent
different

controllers,

exist, or do not yield the desired

inadequacies

control

Global

further

control.

tive

years,

differential

eqivalent

the

tracking
for

in nonlinear

Because of this

be a need

actly linear in a specified manner.

shut-down

and

recent

forming

chemical

in

to

used to effect linearization

operation

but

designed

in

processs

processes

plant

as nonisothermal

The

encountered

In

appears

for this research.

employing

when the process

region,

controllers

motivation

operat-

for control

when

a narrow

systems

reactors,

or

improvements

The linearization

is adequate

mild

pro-

algorithms

about a nominal

approach

This approach
are

of control

of a process.

physical models

nonlinearities

in chemical

there

predictive

with an adaptive

et al.,
83

control

1987;

(Cutler and Ramaker,

Eaton

and

Rawlings,

1980; Clarke

1991).

Rawlings

G. T. WRIGHT and T. F. EDGAR

84

and Muske
lizing
an

(1991)

infinite

equality

model

prediction

problem

programming
plicit

and

using

Linear

NMPC

extends

with

primary

develop

objective

an advanced

fixed-bed

reactor

imentally.

Section

laboratory

scale

with computer

nonlinear

and

2 describes

are classified

with

maximum

to nonlinin an ex-

5, a first-principles
for

egies

model

is developed.

parameters

are

Section

7, NMPC

pared

is evaluated

to more

traditional

suit-

control

strat-

and

the

reactor

to NMPC

issues,

and in Sec-

experimentally

and com-

control

FACILITY
PROCEDURE

The

water-gas

shift

reaction

production

of

ammonia,

chemicals.

The

reaction

AND

better

implement

Catalyst

on a similar

used

a sulfur-tolerant

that is much
(Fig.

1) consisted

processing

arises

hydrogen
is

and

reversible

in the
organic

and

mildly

exothermic:
+ H@(g)
AH,,
In typical
feed

hydrogen,
sulfur

Carbon

steam

is 40%

CO,
ratio

condition

that

the

exceeds

four

depending

dioxide,

hydrocarbons
dry-gas

reactor

insignificant

to dry-gas

satisfies

carbon

of

nominal

assuming

hydrocarbon,
The

monoxide,

monoxide,

40%

CO,

and

may

vary,

the

steam

upon

effluent

Hr.

WGS

reaction

quired.
tween

high

is run in either

reactor

conversion

Steam

quench

or in multiple
of

carbon

streams

beds in a multi-reactor

configuration

bed behavior

varying

the reactor

dry-gas

ratio.

in the dry-gas

feed

stream

temperature

quately

rejected.

monoxide

are often

is primarily
may

composition
variations

and

be-

In either

influenced

by

or the steam

to

include
that

is re-

located

configuration.

inlet temperature

Disturbances

was designed

sation

prior

obtained

to entering

from

fluctuations

flow,
cannot

and

up-

be ade-

hydrogen

and

pressure-

controllers

(MFC).

building

header.

with

manual

the supply

gases as

3 m sections

water

The

tubing

A K-type

the assembly
ture. The

heater

eral wool

was

from

the reservoir.
in two-parallel
The

parallel
heater.
1.25 in.

packed
with

with
high

magnesium
thermal

con-

was also placed

the cartridge

temperature

generator

in a 30.5 cm long,

thermocouple

input

20

a 750 W cartridge

insulator

to monitor

the power

of the steam

around

water,
in

diaphragm

was vaporized

was housed

an electrical

ductivity.

stored

of 16 in., 3 16 stainless-steel.

was wrapped

conden-

Deionized

was

steam

quantity

to avoid

Chem-Tech
flow

to

The

a known

the reactor.
tap,

similar

(1991).

it enough

a building

deionized

lating

was

to vaporize

was used to regulate

The

2.3.

system

reservoir.

tube.

in series

gas

and the

from

from

used to direct

and to superheat

dia.

reactors

dioxide,

in conjunction

generating

assembly

adia-

reactor

to the reactor

used by Bell and Edgar

This

a single

carbon

valves

steam

to

composition

feed

the wet

Steam generator

oxide,

batic fixed-bed
when

2.2.

tubing

ratio

gas

system.

via mass flow

were

but typically
CO

generator,

air was obtained

valves

pump

goals.
The

bypass

feed

20%

reactor

dry

desired.

polyethylene

of

(1991)
catalyst

WGS

the

the fixed-bed

supplied

isolation

and

quantities

cata-

Previous

Edgar

the

parts:

the steam

cylinders

of water
process

for

five

system,

were

generator
the dry

shift

used.

and

to

a well-

2. I. Dry gas feed processing

generator

kcal/mol.

quantities

impurities.

composition

+ H,(g)

applications

carbon

small

CQl(g)

= -9.8

industrial

contains

was

the

chemistry

to characterize.

facility

gas processing

The

CO(g)

approx.

strategies,

by Bell

difficult
of

system,

processing

effluent

of

cobalt-molybdenum

experimental

MFC
(WCS)

reactor

more

the others.

shift catalysts

iron-oxide

Cl2-3-05)

work

used
have

was not to study

control

high-temperature,

The

than

but to use it as a model

nonlinear

cobah-

catalysts

temperatures

understood,
(United

oxide

detail

goal

lyst

Compressed

OPERATING

greater

and

the catalysts

as high-temperature
operating

reaction,

regulated
2. THE EXPERIMENTAL

Iron

Since our principal

nitrogen

strategies.

in much

WGS

feed

is adopted,

6 is devoted

and implementation

3, 4 and

reactor

technique

estimated

of

data and

In Sections

solution

is validated.

for a

reactor

of acquiring
the WGS

to

exper-

shift

model-based

model

development

strategy

the construction

for

model

was

strategy

water-gas

control.

use in real-time,

research

500C.

oxide

are among

shift conversion.

studied

the

capable

advanced

to promote
been

control

apply

fixed-bed

facilities

implementing
able

to

copper-zinc
catalysts

They

MPC

this

oxide,

the optim-

constraints

of

Iron

molybdenum

using quadratic

permit

directly

incorporates

models

manner.

The

tion

stabi-

controller

constraints

to be solved
(QP).

systems

a nominally

predictive

horizon.

and inequality

ization
ear

have developed

constrained

was varied

to the generator.
was insulated

in

heater temperaby manipuThe

with

exterior

2 in. min-

insulation.

Wet -gas feed processing

After

mixing

the dry gases with the steam,

gas mixture

was heated

to a temperature

165C.

temperature

was maintained

This

the wet

of approx.
using

PID

Nonlinear model predictive control

W8tW

Fig. 1. Schematic of the experimental facility for the water-gas shift reactor.
control

to

mitigate

upstream

temperature

ations caused by the steam generator.

0.75 m of 0.25 in. tubing

fluctu-

Approximately

ran from the steam/dry-gas

mixing tee to the reactor inlet. A heat exchanger

constructed
ceramic

by wrapping

fiber-insulated,

this tubing
1.9 n/f

with 3.65 m of

nichrome

wire. Tem-

perature at the reactor inlet was controlied

power

to the resistance

heater. This

was

by varying

assembly

com-

prised the feed preheater.

2.4.

The

reactor

The body
and

was constructed

(0.035

in.).

(39 in.).
taken

reactor.

was positioned

using
a

total

3.175 cm

wall
reactor

length

temperature.

The

0.089 cm

was

99.06 cm

points

were

along

the

heat

loss,

heater extended
thermocouple
and

extended

thermo-well
tor. Power

were

two
from

independent
around

resistance

the reactor.

the inlet header

to the fourth

pair. The second continued

to

the

last

heaters
The first

thermocouple

from there
pair.

The

housed

were
in a

at the top of the reac-

heater was supplied

in a

to the steam generator heater. The

surrounding

the thermo-well

and extending

was packed

Pyrex glass beads. These facilitated

flow distribution

to

gas entry

served as catalyst

into

the active

support

bed.

They

when loading

with
also

the reactor

bed.
The active bed of the reactor was 36.6 cm long and
extended

from

the seventh.

the first thermocouple

The

active

The void

The

cm/O.125

to particle diameter

fraction

exit section

of the reactor

normal

operation

rated plate located

couple

ratio of approx.

Some

were

used

bed was 0.35.

was packed

and rested

the catalyst
upon

at the reactor exit. Four

pairs extended

boundary

with iron-

in.), yielding a

in the catalyst

kaolin clay spheres. They supported

during

pair through

bed was packed

oxide catalyst pellets (0.3175

reactor diameter

thermocouples

inlet section

heater,

to the first pair of thermocouples

9.4.

of

located

to the cartridge

manner analogous
volume

cartridge

assembly

wall

first pair

tightly

using a 300 W

of a

11.43 cm (4.5 in.) from the top of the reactor

were wrapped

heated

consisted

and the last at 72.39 cm (28.5 in.). In order to minimize

Insulation.

feed gases and the reactor

and a corresponding

pair of measurements
temperature

321

of

measurements

at 11 equally-spaced

Each

vertically

(1.25 in.),

thickness

pair of temperature

centerline-bed
located

with

The

axially

The

prior

of the reactor

stainless-steel

reactor was then insulated with several layers of thick

Cerablanket

to

conditions

into

the reactor

examine
discussed

bed

a perfothermo-

exit section.

the validity
later. The

section was 51.05 cm (20.1 in.) in length.

with

of model
total

exit

G. T. WRIGHT and T. F. EDGAR

86
2.5.

Efluent

Upon

exiting

through
water

gus processing
the reactor,

a series
vapor

effluent

of

content

dry-gas

the

of the gas and to determine

the

composition.
effluent

This

coupled

information

for

each

species

was

Infrared

bus

DCS

with

16 MHz

functionally

were

necessary
provide

for

The

available

platforms.

software

DMACS

ing easy

including

execution,

The

uler which

time

second

station

stations

execution

were

device

capable
the

are, in essence,

of accomplishing

host

stations

computer

an RS-422/485
were
2.7.

Reactor

those

intelligent

for

suggested

used

from

shut-down.
performed

by the catalyst

Total

inlet

reaction

catalyst

bed
When

the reducing

process

typically

gas flowrates

similarly
An

for

control.

performed

in depth

experiments
ranging

from

from

10 to
by

temperature

This

rejecting

is

were performed

inlet

experiments.

facility

and control

ranged

experiments

active-bed

method

reaction

collection

temperatures

value using PID

and replicating

proved

at

to be an

upstream

disturbances

Closed-loop

experiments

using

discussion

a cascade

control

of this is given

later

in the text.

3. DYNAMIC

of

MODELING

which
The
of

Optomux
over

brain boards

catalysts

modeling

manufacturer,

United

fixed-bed

must be given

ranging

from
mass

siderations

WATER

GAS

level of model

the

availability

mation

for

among

the

such

con-

of phenom-

intra-particle
partial

simple

and

These

con-

differential

reaction

schemes.

constrained

physical

property

products,

accurate

of catalyst

by

inforrate

characteristics,

things.
model

is

to

in the modeling

reactor

complex,

and

and knowledge

other

to

is ultimately

reliable

reactants

expressions

for

detail

of

reactors,

transport.

complex

even

The

how

energy

to

models,

catalytic

to a multitude

fluid
and

lead

equation

How

were

OF THE FIXED-BED
REACTOR

SHIFT

bed
the

entire

The

465C.

and closed-loop

at inlet

the

interphase

operation.

treat

that

stabilized,

data

Open-

Steady-state

constraint
to

through-

as

approx.

of the WGS

by start-up,

were

ena

multiplexers,

series

was
con-

15-20 h.

and

effective

gas

to limit the rate

certain

The

was

to reaction

downward

ultimately

operation

16 SLM.

process

phases

exceeded

was complete.

Optomux
a mounting

operation

procedures

procedure

sideration

the host computer

multidrop

the temperatures

wet

of

flowrate

in the bed to 65C.

to make

never

Steam

was exercised

adjusted

proceeded

temperatures

scheme.

tasks independent

The

with

was

pro-

computer.

serial link. The Optomux

configured

The

system.

communicated

slowly

and anlog

is a controller

most

increase

user

a sched-

Each

to a host

care

of temperature

When

board

Special

a 1:2 dry-gas

was used

digital
and

The

reach-

by intro-

consisted

temperature

to

continuous

independent

board

CO.

SLM.
bed

Upon

with

to

mixture.

was initiated
mixture

Hz,

and reducing

were

interval

using

employed.

brain

at 68

(300C).

Sev-

intervals.

rack. The Optomux

boards

fixed

of COI,

gas

6-8 SLM.

dry-gas

state.
was

ambient

steam

gas mixture

The

out the heating

desired

allow-

code.

and

and control,

operates
brain

ratio.

I mixture

ditions

to

iron
a gas

its oxidized

it from

activation

UC1

procedure

by heating

a wet process

steam

the

employing

from

was typically

maintaining

on several

techniques

to spawn

The

executing

execution,

of a brain

as a slave

flowrate

270 to 300C.

reaction

architecture
for

to

a commer-

user-written

of these

was designed

consisted

Steam

Normal

Ethernet

together.

and was implemented

data acquisition

Optomux

coaxial

the catalyst

a 2: 3 nitrogen

categorized

adaptor-

computers

available

provided

as user-specified

For

the

DMACS,

for

event-based

predominantly
grams

were

specific

execution.

Ethernet

package

access

mechanisms

tasks

intensive

has an open

database

using

took

optimizations

for the WGS

FIX

for

for highly

the computers

Intellutions

was

33 MHz

Thin

the DCS

im-

The

of

communication.

was

150C

of

entailed

in the activation

the catalyst

temperature

several

storage,

as the

in each

compat-

machine

interface.

such

32-bit
and one

among
and

calculations.

installed

used to drive

facility

step

used to raise the

architecture

16 MHz

collection

was used to wire

software

prepare

to

traditionally

used as platforms

of NMPC
were

eral

tasks

computer

data

Intel

This

host

computations

boards

first

Activation

basically

to reduce

The

ducing

control

IBM-PC

the

computers.

numerical

deter-

computers

research.

and as an operator

machines

cially

33 MHz

80386/80387

this

primary

trending

cable

two

divides

for

medium

(UCI).

ing this temperature

balance.

distributed

compatible

in

catalyst

Cl2

maintained

by a single

autonomous
used

flowrates

to completely

by material

architecture,

16-bit

used

plemented

mass

Inc.

oxide

2: 2:

IBM-PC

Intel

was

inlet

sufficient

employing

80386/80387
ible

were

equipment

global

system

analyzers

CO and CO2 compositions.

the exit composition

Digital

2.6.

designed

gases passed

to eliminate

used to determine

mine

the product

units

Catalysts,

model

would

but also unsuitable

as optimization

and

be

used

effort.

is
A

prove

to

be

for on-line
nonlinear

another

rigorous
not

key
fixedonly

applications

control.

What

Nonhnear

model predictivecontrol

follows is a discussion of the assumptions used to

develop a sufficiently simple, yet accurate, model for
real-time implementation.
The WGS reactor constructed for this study was
designed to operate under nearly adiabatic conditions. This was achieved by adding guard heaters to
the reactor to minimize radial heat loss. The reactor
was also insulated with several inches of fiberglas
insulation. While these efforts did not eliminate heat
loss entirely, an adiabatic assumption was employed
for model simplification.
Although fixed-bed reactors are heterogeneous systerns with both fluid and solid phases, it is often
reasonable to assume that the mass within a volume
element can be characterized by a single bulk temperature, pressure and composition. The pseudohomogeneous assumption is a valid approximation
provided composition and temperature gradients between the fluid and solid phases are small. This
situation prevails when reaction resistance is large
relative to mass and heat transfer resistance. Windes
e? nf. (I 989) compared one- and two-phase models for
the oxidation of methanol. They concluded that
qualitatively these models compare favorably under
most circumstances. They further concluded that
even if the pseudo-homogeneous assumption were
not strictly applicable, the one- and two-phase
models compare well quantitatively with some parameter adjustment. Bell and Edgar (1991) employed
this assumption in a WGS reactor model for a system
similar to the one constructed for this research. Their
results confirmed that assuming homogeneity is a
practical simplification yielding good results for the
WGS reaction. The work of Ampaya and Rinker
(1977) and Bonvin (1980) further supported this
conclusion.
The spatial dimensionality of a fixed-bed reactor
model may profoundly affect the models capacity for
accurate prediction. For small diameter reactors running under adiabatic conditions radial gradients can
often be ignored, but for nonadiabatic exothermic
reactions where radial gradients can be large, failure
to model the radial dimension may render the model
useless. As stated earlier, the reactor in this research
was designed to minimize heat loss and thus large
radial gradients as done by Bell and Edgar (1991). A
1-D model was therefore developed, which also minimized the number of states upon discretization of the
distributed parameter system.
The simplifications mentioned thus far had the
greatest impact upon the size of the model and were
implemented primarily for this reason. Other assumptions described below were based solely upon physical
considerations. Because the reactor was operated at
low pressures, the process gases were assumed to

87

behave ideally. In addition, pressure drop across the

reactor was small, obviating the need for equations
describing this effect. The residence time for the
process gas was on the order of 1 s. This was small
compared to the time-scale for changes in catalystbed temperatures. Therefore, the quasi-steady state
assumption that concentration changes are instantaneous relative to temperature changes was adopted.
Dispersion is negligible when the ratio of reaction
length to particle diameter exceeds 100 (Carberry and
Wendel, 1963, Rase, 1977). It was included here for
numerical conditioning as suggested by Windes
(1986). The final model consisted of two partial
differential equations with axial and temporal dimensions. Danckwerts (1953) boundary conditions were
used at the reactor inlet for the catalyst bed balances,
and zero gradient boundary conditions were applied
at the exit. The dimensionless model is presented
below. Model symbols are defined in the Nomenclature.
3.1. Carbon
0=

monoxide

balance

-$+i[+]-Da(-i,,)
pe,

3.2. Catalyst

(1)

bed energy balance

z=
hI df2

af
a?=
Le x=z+&

- %w@

fw) + fit-fco).

(2)

The WGS reactor model was nondimensionalized

using the following definitions:
f=$,
rsf

i=Z

=I.
rcf

The reference time t,, was chosen to be the residence time based upon the initial gas velocity L/v,.
The reference temperature was taken to be the reactor
inlet temperature TO . These variable definitions led to
the dimensionless groups given in Table 1.
The dimensionless boundary conditions were:
af

= Pe,(?
ai

i =o:

3Y,
ca2
i=

1:

= Pe,(Yco
K?Yco
aidi

fO),

(3)

- YO),

(4)

-O_

(5)

G. T. WRIGHT and T. F. EDGAR

88

model,

resulting

states. DAEs
integration

since

conditions
initial

conditions

boundary

condition

employed

the reactor exit for the above equations

approximation
However,
cannot
support,

from

becomes

the

similarly

nondimensionalized

and

profiles,
Rinker

Newsome

expressions

special

that

Lee

(-rco)

in

two

(1962),
Bonvin

Many

rate

have been proposed,

but

for

second

was given

reaction

equilibrium

Inc.

was employed.

- JJc,,-YH*I&l(~)l

has the advantage

of directly incor-

the effects of steam. This is especially

useful

if the flow of steam to the reactor is adjustable.

rate constant
temperature

to

order rate expressions

Catalysts,

= kt&J.Yrilo

This expression

were

Moe

(1980),

consideration

account

by United

so

and Bell and Edgar (1991)

for the reaction

The following

porating

resulted

an array of shift catalysts.

expressions

systems

conditions

including

(1977),

(1980),

in this research

provided

the reactive

bed to the inert

one for each equation.

of investigators

have studied

As

the effluent concen-

initial

and

effects.

Thus,

behavior.

k was assumed

The

to have an Arrhenius

dependence.

and

set of
in

initial

consistent

a way

dynamic

that

start-up.

using an explicit DAE,

may be initialized

but

similarly:

k = f(x, Y),

(6)

0 = g(x, Y).

(7)

states

of

the

DAE,

x were

given

values xt,, determined by some initial (perhaps arbiso that

trary)
profile.
y0 was then determined
equation

(7) was satisfied.

the differential

even when it

and for adiabatic

The

A number
(1980),

ceases.
fixed,

temperature.

dimensionless
Ampaya

verified.

the active catalyst

reaction

tration

observed

assumption

be experimentally

gases move

does

to experimentally

this is a common

at

is a numerical

determined

is outlined

differential

14 algebraic

a consistent

steady-state

DAEs

and

difficult to initialize for

In this research,

were

both

The technique
implicit

The zero gradient

finding

is nontrivial.

permitted

The

in 12 differential

are notoriously

were

determined

course,
ant,

Having

and algebraic
to

permitted

the same

satisfy

dynamic

technique

state start-up.

How

determined

states,
equation

start-up.

(6).

This,

Equally

was employed

best to choose

both

the derivatives
of

import-

for steady-

x0 was addressed

as follows.
For the WGS

reactor model,

the differential

corresponded

to spatially

temperatures,

which were measurable.

tributed,

radially

distributed

averaged

prised the algebraic

bed

the reactor

mate

model

were used

temperatures

nonlinear

collected

to determine

at the spatial

nodes

when implementing

equation

sets that

the above procedures

a subroutine

from

libraries

et al.,

Caracotsios

the MINPACK
DASAC

was used to integrate the model in time and to

evaluate
to

1980).

arise

were solved

using HYBRD,
(1986)

via

applications.

algebraic

(More

axially
approxi-

These were used to initialize the

for experimental

The

The seven equally-

measurements

linear interpolation.
model

discom-

states, but only the composition

temperature

along

Spatially

compositions

at the reactor exit was measurable.

spaced

states

centerline-bed

the

state

and

sequence

DASAC

output
of

is based upon

gration

algorithm,

sensitivities

manipulated

with

respect

variable

moves.

the predictor-corrector

DASSL,

developed

by

intePetzold

(1983).
4.

The

model

section
finite

were

TECHNIQUES

equations
solved

element

piecewise-simple
suitably

SOLUTION

chosen

developed

numerically

technique.

polynomials
partition

model

solution.

equation

scheme.

were

to spatially

respect

Twelve

of

to some
con-

to the true

ultimately
(DAE)

set,

led to
which

predictor-corrector

piecewise linear elements

discretize

FSTIMATION
VERIFICATION

AND

MODEL

a Galerkin

combination

approximation

using an implicit,

integration
used

with

This approximation

a differential-algebraic
was integrated

using

linear

of the spatial domain

stitute a finite-dimensional

5. PARAMETER

in the previous

the WGS

reactor

For the WGS

to be fitted

reactor model,

consisted

E,, activation energy.

A, pre-exponential
factor.

CPY

These
poorly

heat capacity
parameters
known

the parameter

of the following

set of

parameters:

of solid medium.

were

and could

chosen
not

because
accurrately

they

were

be deter-

mined a ~riori. The first two of these parameters

are

model predictive

Nonlinear

however, was how best to choose T, for optimal

conditioning of the estimation problem. The parameter estimation problem was solved for several
values of T,,, . The value that was ultimately employed
yielded the smallest 2 - d intervals for the parameter
estimates as determined by GREG
(Caracotsios,
1986), a parameter estimation package developed by
Caracotsios.
A weighted least squares cost function was used as
the measure of plant-model mismatch in this research:

clearly kinetic rate parameters and the last was used

primarily for fitting reactor dynamics since it appears
only in the Lewis number which is the coefficient for
the time derivative of dimensionless temperature. The
need to estimate heat transfer parameters was removed by virtue of the adiabatic assumption which
eliminated the reactor wall energy balance. This
assumption proved to be quite reasonable since heat
losses to the surrounding were small relative to the
heat generated by reaction.
Seven temperature measurements located axially
along the centerline of the active bed were used for
parameter estimation. The measured effluent CO
composition was also employed initially, but subsequent studies proved the parameters to be insensitive to this value when used with the multiple
temperature measurements.
The model states were most sensitive to the rate
parameters on the interior of the active bed for
high-temperature operation and at the exit for lowtemperature operation. The state sensitivities with
respect to the activation energy and the pre-exponential constants varied roughly in proportion to one
another. Linearly dependent sensitivities lead to virtually dependent first-order necessary conditions for
the parameter estimation problem and an ill-posed
estimation problem. For this reason the centering
technique described by Bates and Watts (1988), which
improves the conditioning of the estimation problem,
was employed. The Arrhenius expression:

The cost function is equivalent to the maximum

likelihood estimator when the measurement errors
are uncorrelated and normally distributed and their
variances are constant. Since these assumptions do
not apply to our data, we are content to interpret the
results simply as weighted least squares estimates.
Because each temperature measurement was assumed
to be similarly accurate, the weights u, were each
given a value of unity. For measurements of varying
qualities, however, the weights can be- adjusted to
reflect measurement confidence. The weights can also
be used as scaling factors for measurements of different magnitudes. This was unnecessary here since the
equations and the data were scaled via nondimensionalization.
The parameters were estimated using eight steadystate data sets and three dynamic data sets. The
dynamic experiments consisted of perturbations to
the active bed inlet temperature usually in the form
of first-order exponentially filtered steps. Flowrates
ranged from approx. 9.6 to 12.0 SLM, and the inlet
conditions varied as indicated in Table 2 for the
steady-state experiments. Experiments rb1028a,b,
and c were performed to verify reproducibility of
results from several months earlier. Parameter
estimates obtained from steady-state data for the
activation energy and the pre-exponential constant
are given in Table 3. Also listed are the 2 - cr
intervals associated with each parameter estimate.
The 2 - D interval is a simple measure of the quality
of the parameter estimate-small
values relative to

was rewritten as

,
where
A=Aexp(-&).

The mean temperature T, was chosen to lie within

the range of observed bed temperatures. The primary
effect of centering was to reduce the collinear dependence between the sensitivities. What was not clear,
Table

Experiment
rbO7231a
rbO723lb
rbO7241a
rbO724lb
rbO724lc
rb10281a
rbl028lb
rb10281c

ID

2.

Operating

conditions

Inlet
tcmperaturc
C
285.00
280.00
28 I .24
285.00
290.00
281.24
285. I7
290.00

89

control

for

steady-state
Inlet

mol

experiments
fraction

co

H>O

CO1

HZ

Total
flowrate
SLM

0.154
0.154
0.167
0.167
0.167
0.165
0.165
0.165

0.534
0.534
0.588
0.588
0.588
0.585
0.585
0.585

0.156
0.156
0.167
0.167
0.167
0.166
0.166
0.166

0.156
0.156
0.084
0.084
0.084
0.084
0.084
0.084

9.6 I
9.6 I
11.95
11.95
11.95
I i.97
11.97
Il.97

G.

90
Table

3. Optimal

parameter

estimates

from

steady-state

Estimated
value

Parameter

E.
T, = 297C
SE of residuals

WRIGHT and T. F. EDGAR

experiments

2-u
Interval

1.055 x 10-s
2.783 x IO+

T.

4.258 x lO-7
1.189 x lo+

7.199X 10-3

the estimates are preferred. These intervals are strictly

valid only if the parameter estimates are independent
and normally distributed. Figure 2 illustrates the
good experimental data/model agreement for three of
the eight steady-state experiments. The sample given
represents low; medium- and high-temperature operation.
As stated earlier the heat capacity of the solid
phase was estimated to obtain a good dynamic fit.
The rate parameters were also re-estimated using the
steady-state parameter estimates as initial guesses.
Table 4 lists the parameter estimates obtained when
the dynamic experimental data were employed. Because the rate parameters varied only slightly from
the values obtained using steady-state data and since
all parameters were well determined, we may conclude that the good dynamic fit illustrated in Fig. 3
for the seven equally spaced axial centerline bed
temperature measurements was primarily achieved
via the solid heat capacity estimate. Note that the
dynamic data led to smaller 2 - o intervals for the
kinetic parameters. Figure 3 shows experiment
rb7241d. The remaining dynamic experiments behaved similarly. We may also conclude that the model
was valid over the nonlinear operating space given by
the conditions in Table 2.

6.

CONTROLLER

DEVELOPMENT

There are two ways of performing model-predictive

control calculations. The first method is sequential
and employs separate algorithms to solve the differential equations, and carry out the optimization.
First, a manipulated variable profile is guessed, and
the differential equations are solved numerically to
obtain an open-loop variable profile. Based upon the
numerical solution, the objective function is evaluated. The gradient of the objective function with
respect to the manipulated variable is determined
either by finite differencing or by solving sensitivity
equations. Finally, the control profile is updated
using some optimization algorithm, and the process
repeated until the optimal profiles are obtained. This
constitutes a sequential solution and optimization
strategy, and recent versions of this strategy have
been reported by: Asselmeyer (1985), Morshedi
(1986), Jang et al. (1987), Kiparissides and Georgiou
(1987) and Peterson er al. (1989). The availability of
accurate and efficient integration and optimization
packages permits implementation of this method
with little programming effort. However, constraint
handling is poorer than in an alternative method
which uses a simultaneous solution and optimization
strategy.
When the second or simultaneous approach is
adopted, the model differential equations are discretized, and along with the algebraic model
equations are included as constraints in a nonlinear
programming (NLP) problem. The optimization
of the objective function is performed such that

460
model
model
model

440

420

E
3

P
p1

380

rb7241a
rb724lb
rb7241c
rb724la
rb7241b
rb7241c

----.
----l

+
D

360

340

320

0.2

Fig. 2. Steady-statemodel predictionsand

0.4
Normalized

Axial

0.6
Length

experimental observations
rb724 lc.

0.8

for experimentsrb724I a, rb724I b,

Nonlinear model predictive control

Table

4. Optimal

parameter

estimates

Parameter
A

dynamic

Cp*
7-m=297C
SE of residuals

3.210
9.953
6.123

7.282

the discretized

model

differential

isfied and other constraints

variables

are

this method

have

Asbjornsen

(1977),

Biegler

(1987),

(1988,

1989,

Renfro

Having

are sat-

reported

by Hertzberg

and

In this work,

a sequential

for
upon
for

experimental
the
the

dimensionality

two

equations
taneous
directly

arising

from

optimization

simultaneous

and

of the sampling

NLP

number

sufficiently

large, the computational

horizon

associated

with

sequential

the

strategy.

the computation

is extended
than

intense

integrations

varies

an integer
order
than

required

when

is smaller

for

for the simultaneous

path strategies

is

the

of

objective

infeasible.

Another

solving

the NLP

ant for real-time

the sampling

path

advantage

output

of feasible

the luxury

suboptimally.

Experimental
Model

Data
Data

path

some fixed time,

optimization

----.

380

t
360

340

320

300

280
0

Fig. 3. Dynamic

model

50

100

150

Time

predictions and experimental

experiment number

200
250
(minutes)

of

usually

If the time limit is approached

in the course of solving the NLP,

H
d

tech-

import-

400

::

fail,

since the solution

420

-z

can be

of intentionally

460

440

the

is usually

This becomes

implementation

interval.

at

strategies

since the model

must not exceed

if the

need only comfunction

the controller

niques is that one enjoys

offers

is that

to the value at failure.

infeasible

there is no direct recourse

the

to op-

When

While

to be computation-

fail, the controller

of the optimization

either

strategy.

first of these

the

sol-

but the

path technique

values

each NLP

sequential

appear

should

the prediction

approach

path solution

optimizer

If this value improves,

and

equations),

pare

the

while seeking

strategy can employ

The

but

simul-

a feasible path technique

the feasible

advantages.

implemented.

that

in

infeasible

beginning

the relative increase in

time required

horizon

arose

burden of a large

more

Moreover,

strategy

strategy
(PH),

or infeasible

several

constraint

If the model

prediction

becomes

which
of

a feasible

strat-

on the contrary,

optimization

of the model

optimization

ally more efficient,

in the simul-

solution
horizon

time.

sol-

this choice

predominantly

discretization

with the prediction

multiple

the

and

(at least in terms

sequential

path

be satisfied

at each iteration,

at each iteration

et al.

Rawlings

The

and sol-

the constraints

path strategies,

Patwardhan

optimization

The

Feasible

ution strategy is necessarily

based

of

strategies.

and satisfy

and

We justified

application

be solved)

equations

Cuthrell
and

Infeasible

(the model

satisfy the constraints

( 1990).
ution strategy was employed.

strategy.

that the constraints

the optimum.

Eaton

optimization

for a feasible path approach

and

(1984),

et al. (1987),

1991)

path

find the optimum

arising

is indepen-

horizon.

we opted

an infeasible

constraints

and solution

egies do not require

taneously.

employing

of NLP

selected a sequential

ution strategy,
vs

results

number

optimization

dent of the prediction

x IO-
x IOf
x IO-

equations

The

from sequential

x 1O-3

Key

Biegler

1990,

timization.

on the states and manip-

met.

been

experiments

2-a
Interval

1.070 x 10-S
2.734 x 1O+4
4.480 x 10-l

ulated

from

Estimated
value

91

300

observations
for experiment
3 for conditions).

350

rb7241d

400

450

(see Table

2,

can be

G. T. WRIGHTand T. F. EDGAR

92

halted and the solution from the last complete

ation can be implemented.
6.1. Sequenti& solution and optimization

iter-

strategy

The nonlinear model predictive controller implemented in this research was formulated as the
following NLP:
mip @[x(ri), u(zi)]

i = 1,2,.

_ , PH,

subject to satisfying:
1. Model

differential and algebraic equations:

E(t)*

= f]x(O,

uU)l>

(8)

u(t) E 4t,
E(t) E W X,
where
x(2) E W,
rank[E(t)] <n. The last of these permits the
consideration of DAEs.
2. The definition of the control horizon (CH):

u(r) =

u1,

r,< t < t,,

u2r

1, < t < t2,

1: ucn I

(9)

kn - I G t -= q-h,

3. Initial conditions:
x(r) =x0.
4. Simple bounds on differential and algebraic
state variables over the prediction horizon:
x, c x(ti) < X,

i=l,...,PH.

5. Simple bounds on manipulated

u,<u,<u,,
6. Velocity

j = 1,. . , CH.

bounds on manipulated

Iu~-u,+~I<Au~~,,

variables:

j=l,...,

variables:
CH-1.

The resulting NLP was solved using the generalized

reduced gradient (GRG2) (Lasdon and Waren, 1986),
and u, was implemented. This process was repeated
at every sampling instant. The effect of modeling
error and unmeasured disturbances was treated as an
additive, unmeasured disturbance, and was estimated
at the kth sampling instant in a manner similar to
DMC:
xr,,rcdic,cd.&
= Xmx,d.k
dk

xmeasud.k

Real-time solution of the NLP arising from the

controller
formulation
required special care. As
stated earlier, an NLP was solved at each sampling
interval. The solution times ranged from little computation time near steady-state to very large computation time for the initial stages of set-point tracking.
While it was not possible to determine an absolute
upper limit on the computation time required to solve
a given NLP, a bound of 5 min (corresponding to the
sampling time) permitted completion of the solution
process for most of the NLPs which arose. If, based
upon the dynamic characteristics of the system, this
sampling rate had been too slow, this control strategy
would have been abandoned.
For the occasional NLP which, if allowed to go to
completion, would have required more than one
sampling interval to converge to the optimum, the
following approach was adopted. The optimization
code, GRG2, was modified to call the system clock at
the beginning and end of each major optimization
iteration. The time required for solution of the NLP.
Before each major iteration was initiated, the elapsed
time was subtracted from the sampling time to determine the maximum time available for continued
computations. The times for previous major iterations were used to extrapolate an expected iteration
time for the current iteration. This value was compared with the remaining available time for computation. Based upon the comparison, optimization was
either terminated or continued. When terminated, the
results from the previous major iteration was taken to
be the solution to the NLP, provided the objective
function had improved relative to its initial value.
6.1.1. Obtaining gradient information. The computational burden associated with integration of the
system equations coupled with a need for gradient
information constitutes the greatest impediment to
the on-line implementation of sequential optimization and solution strategies. These problems are
exacerbated when finite differencing is employed to
calculate the gradient information.
Let us define v to be the partitioned vector:
v = [UT - UT] . . J&IT.
Then the gradient
respect to v is:

+a,_,,

v,o
xprcdid,k

This constituted the feedback portion of the algorithm which distinguishes it from the open-loop, optimal manipulated variable profile calculation methods
of Biegler (1984) and Renfro er al. (1987). When a
perfect process model is used d becomes the additive
disturbance in the process output.

of the objective

(10)
function

with

= [V,, @I . . . IV,,@],

where
V,@ = y %,x,(0+@,,
i--l

j = 1,. . . , CH.

are row vectors and xi is the solution to the DAT at

time li. The sensitivities of the differential and algebraic states with respect to each vector ui in the

93

Nonlinear model predictive control

sequence

of piecewise constant

x,,. In order to determine

function

with respect

to v, the sensitivity

for the states of the DAE

Let W, represent
vector

inputs are denoted

,__......................,

equations

must be determined.

the sensitivity

with respect

Feed

by

the gradient of the objective

matrix

of the state

to u,:
w, = x*,.

Then

the dynamic

evolution

of W, is determined

by:

e
E(t)W,

i = 1,

= J(x, v)W, + B,(x, v),

. . . , CH,

(11)

where

zj-, < t -c t,,

f (x. q 1,

Bj(Xv VII =

and J(x, v) is the Jacobian

equations

are subject

to the initial conditions:

CONTROL

a consequence
with

of

a slow

required to accommodate
tation

times

Because

evolving

this factor

rejection
plemented

in

configuration

As described
was

power

varying

the power

to

impact

NMPC

directly

determined

active bed inlet temperature

lead

to

active

the
bed

boundary
This

desired
inlet

input to the
heater.

The

WGS

was influenced
inlet

ranging
from
3 min.

generated

Power

value

that would

behavior.

time

interest,

constituted

set-point

the

that
the

energy

reactor

for

the
inlet

balance.

reactor

reactor

in

9 to

was

be feed-gas

quite

13 SLM.

linear

Time

for

response,

variation

static

of 15%.

gain

was

2.8

with

using

reactor

for

the

was

of

con-

the reactor

inlet

by a model-based

PID

ITAE

controller
tuning

5 is typical

constant
6 min

for

and

was

rule

for

of the closed-

had the appearance

time

control

the PID

transfer function

approx.

flowrates

cascade
that

track

The
an

Figure

which

We have already concluded

the relationship

and

flowrate.

defined

flowrates

easily measured

varied

a maximum
was

model
that

subsequent

The relationship

a function

Since the reactor inlet section

diffused

master-slave,

master).

closed-loop

defined.

10.3 to 14.3 min and the dead time was approx.

The

little

effectively

tracking.

behavior

constants

bed

impacting

target value computed

(the

perature

foop

inlet temperature

predominantly

behavior

from

inlet temperature

the

therefore,

interest

in the active

of the heat

was used to close the loop.

order plus dead-time

The

a portion

of a first-

step response.

the flowrates

the dead-time

of
was

3 min.

the NMPC
illustrated

loop

(e.g.

CO),

it was imperative
slave)

controller

of

of a reactive gas mixture

varied

of

(the

independent

feed

reaction

control

configuration,

tuned,

when

reaction
and cool-

the reactor

contained

delay

light

no

heating

Because the static gain, time constant

PID

output.

presumably

Recall

for the reactor

its

beads,

to the inlet, marginally

inlet behavior.

In

However,

from

upstream
and

glass

inlet was virtually

was composed

the gas mixture

composition,

The open-loop
The

stream

temperature

upon

Pyrex

feed composition.

specifically

Fig. 4.
7.1.

ing of the reactor

troller

a target

for the WGS

While

inert

in this region. Therefore,

all bed temperatures

was used to construct

strategy

was

employed.

as the NMPC

temperature

condition

relationship

control

bed

im-

control

bed inlet temperature.

was never determined

Instead,

the primary

the inlet feed

we focused

on the active

cascade
rate was

level affected

compositions,

was

linear controller

sampling

previously,

reactor

process.

NMPC

master-slave

faster

long compu-

the disturbance

NMPC,

where a low-level

burden
rate was

solution

diminished

of

a significantly

and

also

capabilities

the

with

occurred

sampling

the relatively
from

packed

STUDIES

the computational

NMPC,

----------

Fig. 4. Cascade control configuration for implementing

model-based control strategies.

= 0.

7. EXPERIMENTAL

As

l-r

of f(x, v). The sensitivity

W,(r,)

associated

-------a

otherwise,

of power

and subject

PID

first-order

plus

described

above.

between
bed

dead-time

well
as

was poorly

which

Fortunately,

inlet was eliminated

controller

was

bed behavior

to the inlet heater

to disturbances

and

inlet bed tem-

behavior

governing

or modeled.

the reactor
the

that given flowrate

were not

the need to
by assuming

consistently

generated

closed-loop

response

as

G. T. WRIGHT and T. F. EDGAR

288

287

286

285

284

48

46

44

20

40

60
Time

80

100

(minutes)

Fig. 5. Close-loop response of the reactor inlet temperature for a 5C set-point increase and a Aowrate
of 13 SLM.

7.2.

Closed-loop

NMPC

would

experiments

have made

the problem

feasible for real-time

For
CH

all

NMPC

was

variable

unity,
move

prediction

experiments
permitting

over

horizon

120 min. Aggressive

the

the control

only

entire

one
time

PH was 24 sampling
control

is generally

large CH and small PH. Our objective,

not

to demonstrate

aggressive

consistent

control

Therefore,

the tuning

propriately.

over

control,

a broad

Furthermore,

horizon.
intervals
achieved
however,
but

operation

parameters
a larger

horizon

manipulated

NMPC

for

ution

was

region.
ap-

horizon

it would
number

Although

or

smooth

were selected
control

The

because
increased

have

been

on the WGS

every

attempt

was

an

made

to

make

efficient,

the

the sol-

from

3 to 4.5 min.

In

light of this, the sampling

interval

T, for control

of

the sixth

was chosen

bed temperature

This value complied

sented

required

by

variables.

computationally

NLP

in-

system

accompanied

of optimization

algorithm
of each

computationally

application

by

Wittenmark

Seborg
(1990),

with established
et

al.

who

to be 5 min.

guidelines

pre-

(1989)

and

Astrom

suggest

that

the sampling

and

95

Nonlinear model predictivecontrol

rate be less than a tenth of the dominant time
constant or that the ratio of the sampling rate to the
time constant lie between 0.1 and OS. The dominant
time constant for the system was approx. 55 min and
the dead time, 30 min. A nominal dry-gas inlet composition of 40% CO, 40% CO2 and 20% H2 was used
for all experiments unless otherwise stated. The volumetric dry-gas to steam ratio was 0.625, and the total
gas flow was 13 SLM.

The first experiment was intended simply to

demonstrate that NMPC handles set-point tracking
smoothly and efficiently. Figure 6 depicts the closedloop response of bed temperature 6 to a 16.5%
step-change in its set-point. For clarity, we reiterate
that the manipulated variable for the NMPC loop
was the inlet temperature set-point, and that the
manipulated variable for the PID loop was power to
the inlet heater. NMPC was permitted to change the

325

I
I
~______________________________._____~

320
G
.m

set

-Point

-----

Outpuf

____________I
4

300

240
288
286
284
282

set-POi

nt

----

output

280
278
276

44.0

42.0

c.

50

150

100
Time

Fig. 6. NMPC

200

250

300

(minutes)

experimentnumber I: WGS reactor responseto a 16.5C step increasein the set-point

for bed temperaturenumber 6.

G. T. WRIGHT

96

and

inlet temperature set-point by no more than +2.5C

per control interval. Absolute limits of 270 and 300C
were also enforced.
Although small oscillations of f 1C persisted, it is
apparent that NMPC achieved the desired set-point.
These minor oscillations were the direct result of
small inlet temperature oscillations about the inlet
temperature target value. Since NMPC is modelbased, dead-time compensation is inherent, provided
360

350

the model accounts for it. For the WGS reactor, a

temperature variation at the inlet initiates a thermal
wave, which amplifies as it propagates through the
active bed. This phenomenon effectively creates a lag
that would be modeled as pure delay in a transfer
function representation of the system. Notice that
NMPC required only three sampling intervals to
determine the inlet temperature that would drive bed
temperature 6 to set-point. Furthermore, once this

Set-Point
ourput

----

Set-Point

----

T. F. EDGAR

340

330

320

300

290

output

286

284

42.0

36.0
0

100

200
Time

Fig. 7. NMPC
temperature

experiment number 2: WGS reactor

number 6, which spans the operating

300
(minutes)

400

500

response to a sequence of set-point increases for bed

space for nominal feed composition
and flowrate.

Nonlinear model predictivecontrol

value had been determined, manipulated variable
changes virtually ceased, despite the initial absence of
response of temperature 6. This example and others
that follow powerfully illustrate the inherent deadtime compensation of NMPC.
The second experiment was intended to illustrate
the ease with which NMPC
progresses from a
state of virtually no reaction to a state of almost
complete reaction when applied to the WGS reactor.
This example highlights the effective use of NMPC
for plant start-up. Figure 7 shows a sequence of
set-point changes. The first was an 18SC stepincrease from 306.5 to 325C
and the second a
25C step-increase to 350C. A velocity constraint
permitted NMPC to manipulate the inlet temperature
set-point by no more than + l.OC per control
interval.
As with the previous example delay time was easily
accommodated as evidenced by the absence of excessive manipulated variable movement. More significant, however, was the successful handling of the
static gain variations. Figure 7 clearly illustrates
that for an 18.5C change in the output, an inlet
temperature change of approx. 5C was required.
For the subsequent 25C output increase, which
occurred at higher CO conversion, an inlet temperature change of approx. 2.4C was required, a tripling
of the static gain. NMPC inherently recognized these
gain varitions and responded accordingly. For the
same operating conditions, Fig. 8 illustrates the
poor simulated response achieved using a PID controller, tuned with ITAE rules for set-point tracking.

97

We note at this point that when Ziegler-Nichols

tuning rules are adopted for PID tuning, positive
static gain variations should not exceed approx.
lOO%, and even this value is borderline. While more
advanced PID tuning strategies have been developed more recently, this rule of thumb still loosely
applies.
The third and final NMPC
experiment dealt
with the disturbance rejection capabilities of NMPC.
First, steady-state was achieved with an output setpoint of 310C. At time equal to 30 min, the dry-gas
flowrate was decreased by 10% to 4.5 SLM. The
dry-gas composition and steam flowrate were not
altered. Since flowrate and composition measurements appeared as parameters in the NMPC model,
an inherent feedforward action caused an immediate
drop in the inlet temperature set-point (Fig. 9, arrows
mark the flowrate decrease). This occurred before any
significant response in bed temperature 6, the feedback variable. In fact, the output only began to
respond approx. 10 min later.
This disturbance rejection example highlights
a flaw of the NMPC
control implementation.
When constructing the controller, it was assumed
that the inlet temperature loop had a perfectly
consistent first-order response for set-point tracking. Figure 9 clearly demonstrates that this
assumption was violated in the presence of a disturbance. In the next section we discuss the ramifications of this assumption by examining the
model states with and without inlet temperature
feedback.

370
I
360

350

340

2
::
1

330

iz

300
0

I
100

1
200
Time

300
(minutes)

400

500

600

Fig. 8. Simulated WGS reactor response to a sequence of set-point increases for bed temperature
number 6, which spans the operating space for nominal feed composition and ilowrate.

G. T. WRIGHTZUI~

98

T. F.EDGAR

320
318

set-Polnc
output

----'
_

Set-Point
output

----.
-

316
314

312
310
308
306

286.0

265.0

284.0

282.0

281.0

260.0

40.0
39.5
39.0
36.5
36.0
37.5
37.0
36.5
36.0
35.5
35.0 1

so

150

100

Time

200

lminucesl

Fig. 9. NMFC experiment number 3: WGS reactor response to a 10% step decrease in the nominal dry-gas
flowrate.

7.3. Comparison

of

plant

and

model

outputs

for

NMZC
Experiment three clearly demonstrated a violation
of the assumption that the closed-loop
behavior
of the inlet temperature loop was first-order. The
unexpected response of bed temperature 1 was a
consequence of the 10% step-decrease in the dry-gas
flowrate. Figure 10 compares the output response

(bed temperature 6) actually experienced in the plant

to the model response. Notice that the model temperature increased slightly due to the decreased drygas flowrate (arrows mark the flowrate decrease).
When compared to the actual temperature increase in
the plant, however, the model temperature increase
was small.
The temperature increase in the plant output was
the cumulative effect of increased residence time,

Nonlinear model predictive control

99

330

Plant
Model
Model

__-_.
--.--'

vf Inlet Temp. Feedback

w/o Inlet Temp. Feedback

325

310

50

150

100
Time
(minutes)

200

Fig. 10. Comparison

of plant and model states with and without inlet temperature feedback when a 10%
step decrease in the nominal dry-gas flowrate is applied to the reactor system.

which

permitted

temperature
removal.

and increased

be a slower

Incorportion

have required

inlet

Such

a model

be otherwise

would

accounted
where

inlet section

only

size while adding

simulation

increase

for. Figure

10 shows a closed-

the actual

reactor

almost

derivative
by the plant.

was

A small,

varying bias ranging from 5 to 10C persisted,

mechanism

of NMPC
380

370

is designed
1

with
that

this

phenomenon.

better

We

plant-model

the model

Inlet

feedback

conditions

tively achieve a feedforward

control

would

350

E
J
E

340

P
8

330

Figures
ture

pre-

was

slowly

no

output

but the
to effec-

11 and 12 illustrate

feedback

set-point

strategy (Wright,

would

tracking.

be

In fact,

substantial

that an inlet tempera-

much

distinction

with or without

less

significant

for experiment

feedback.

between

the

temperature
1

operation.

In

experiment

one,

__----_
--._
,,~~:___---~-~'---r..__
../-9'
,.;?
:,s
:*

w/ Inlet Temp. Feedback

w/o Inlet Temp. Feedback

_____
----_'
-

Fig.

11. Comparison

i
100

model

As with experiment

l1
0

for

two there

three, the bias varied slowly here, increasing with high

Plant
Model
Model
300

to

effec-

1992).

360

is

is used as an

temperature

boundary

conclude,

agreement

if the actual inlet temperature

to the model.

reset

inlet tem-

the model-output

time

input

that can

In this case,

cisely that experienced

achieved

the overall

information

deal

therefore,

be mod-

perature is used as an input to the model.

feedback

tively

rate of heat

of the second effect would

that the reactor

reactor model
loop

reaction,

simply

Only the first of these effects was considered

in the model.
eled.

more

caused

200
Time

300
(minutes)

400

of plant and model states with and without inlet temperature

sequence of set-point changes was applied to bed temperature 6.

500
feedback

when

use

of

G.

325

T.

WRIGHT and T. F. EDGAR

300

1
0

I
50

Model

w/

Model

w/o

100
Time

Inlet Temp. Feedback

Inlet Temp. Feedback

150
(minutes)

1
200

__--.
-----'

1
250

300

Fig. 12. Comparison of plant and model states with and without inlet temperaturefeedback when a
16SC step-pointincreasewas appliedto bed temperature6.

inlet temperature as a model input had a marginally

greater effect than for experiment two. Even so, the
output behavior in the plant could not be captured
for the time interval ranging from 100 to 175 min.
This example illustrates, however, that NMPC is
robust to plant-model mismatch. It is clear, that in
the absence of repeated disturbances, both techniques
lead to the same model output, but inlet temperature
feedback may significantly affect transient behavior.
7.4. Comparison

with closed-loop

GPC

Adaptive GPC was implemented using the control

structure outlined for NMPC. Unlike the NMPC
experiments, however bed temperature 4 was taken to
be the controlled variable. Because the computation
time required for adaptive GPC was small, a
sampling time of 2 min, based solely upon the openloop dynamics of bed temperature 4, was adopted.
For an inlet temperture of 280C and nominal values
of composition and flowrate, the dead-time was
approx. 14min, the time constant 25 mm, and the
gain 1.5. The gain increased by approx. 120% from
this low reaction state to a state of complete reaction.
The control experiment described below used a
prediction horizon of 20 sampling intervals, and a
control horizon of unity. A move supression factor of
10 was also employed, and GPC was permitted to
change the set-point by no more than _t 1C per
control interval. The recursive least squares estimation algorithm of Chen and Norton (1987) was
employed for parameter estimation. The model took
the form:
A (4 -ly(t)

= q -B(q -)24(t) + ci,

(12)

where A (q -) and B(q -) are polynomials in the

backward shift operator of orders 1 and 3, respectively.
Figure 13 illustrates a sequence of three 5C stepincreases in the target value for bed temperature 4.
While the close-loop response for the first and second
increments were satisfactory, it is clear that the
response became progressively worse with increasing
operating temperature. The oscillatory behavior was
obtained despite parameter adaptation. In addition,
this control problem was less challenging than the
problem to which NMPC was applied. We concluded, therefore, that traditional adaptive control is
not well suited for WGS reactor start-up, since the
linear model, even with parameter adaptation, does
not adequately reflect the rapidly changing nonlinear
dynamics of the system.
8.

CONCLUSlONS

The primary goal of this research was to develop

an advanced nonlinear control strategy for fixed-bed
catalytic reactors. The control method was applied
experimentally using a laboratory-scale water-gas
shift WGS reactor. The following conclusions may be
drawn from the results of this work.
An adiabatic, pseudo-homogeneous WGS reactor
model represented the physical system well over the
operating space of interest. The physically reasonable, simplifying assusmptions that were adopted
proved useful in developing a low-order model, suitable for implementation in an NMPC framework.
The Galkerin technique on finite elements with piecewise linear polynomial approximations proved not to

Nonlinear model predictive control

306

302

296

Set-Point

output

----

286

284

46.0

50

100

150

200
Time

250
(minufcr)

300

350

400

450

Fig. 13. Adaptive GFC experiment: WGS reactor response to a sequence of set-point increases for bed
temperature number 4 for nominal composition and flowrate.

be susceptible

to oscillatory

behavior

over the spatial

domain when 12 nodes were employed for discretization. Estimation of dynamic and steady-state
parameters were efkctively decoupled for the pseudohomogeneous WGS reactor model. Furthermore, information-rich dynamic data yielded good parameter
estimates with less experimental effort.
The control experiments demonstrated that absolute plant-model agreement was not imperative for

good control using NMPC. However, temporal firstderivative

information,
consistent
with
plant
behavior, was crucial to good performance. NMPC
was better suited for feedforward dynamic compensation than linear techniques since the nonlinear
model has an inherent characterization of the feedforward mechanism. Feedforward control significantly enhances NMPC
performance.
Finally,
NMPC was effectively used to start-up the WGS

G. T. WRIGHT and T. F. EDGAR

102

NMPC

system.
ditional
operating
control

was superior

control

techniques

regions
appears

were
to

estimates

varied

successful

parameter

as

in this regard
since

broad

traversed.

be unsuitable,
rapidly

as

adjustment

Adaptive
since

the

linear

parameter

state,

extremely

to tra-

nonlinear

making
difficult.

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