1

Paper T9a05 - F
Advanced Process Control and Optimization of Acetylene
Hydrogenation Reactors
By
Mario Lesieur
Petromont
Varennes, Quebec, Canada
Sanjay Sharma and Ravi Nath
Honeywell Hi-Spec Solutions
Houston, TX, USA
Presented at the 2003 AIChE Spring National Meeting
15th Annual Ethylene Producers Conference
Session T9a05 - Ethylene Plant Process Control
New Orleans , Louisiana
April 2, 2003
UNPUBLISHED
AIChE shall not be responsible for statements or opinions contained in papers or printed
in its publications
2
Advanced Process Control and Optimization of Acetylene
Hydrogenation Reactors
Mario Lesieur
Petromont
Varennes, Quebec, Canada
Sanjay Sharma and Ravi Nath
Honeywell Hi-Spec Solutions
Houston, TX, USA
Paper presented at the 15
th
Annual Ethylene Producers Conference
New Orleans, LA, April 2003
ABSTRACT
Polymer grade Ethylene has stringent specifications of acetylene impurity, around 1 PPM
maximum. Since acetylene stays with ethylene-ethane fraction of the cracked gas all through the
separation process, typical ethylene processes rely on catalytic hydrogenation of acetylene to
meet product specification.
In addition to the desired reaction of acetylene hydrogenation, ethylene hydrogenation also takes
place. Obviously, ethylene hydrogenation must be minimized as it contributes directly to product
loss. In addition to these two main reactions, a number of other side reactions also take place that
lead to the formation of low order polymers (green oil) that build up on the catalyst surface and
slowly reduce its activity. For this reason reactors must be regenerated on a frequent basis.
Reactor run-length varies, typically between 60 to 90 days, depending on the operating conditions
encountered by the reactor.
Typically 3 catalytic reactors are employed with two reactors in service at any given time. For
each reactor there typically are two manipulated variables (MV): hydrogen flow to the reactor and
reactor inlet temperature. Carbon Monoxide, which acts as an inhibitor, is sometimes added to
improve reaction selectivity and could be an additional MV. During normal operation there are
degrees of freedom in the operation of the reactor system; that is there are more MVs than needed
for control, and that presents us with an opportunity for economic optimization.
Control of acetylene reactors however is a challenging problem because of the inherent difficulty
in controlling to an impurity level that is nearly zero. Similarly, economic optimization is also
challenging as it requires a careful tradeoff between reactor activity, selectivity and run-length.
For Petromont, these challenging problems have been solved by using Honeywells robust multi
-variable predictive controller that works in conjunction with and gets guidance from a rigorous,
on-line, non-linear, multi-time period, kinetic based optimizer. These advanced applications were
first commissioned in October 2001. These applications were modified in May 2002 after the
process turn around in which some instrumentation changes were made. Use of these advanced
applications has resulted in a much smoother operation of the process and a net improvement in
the ethylene yield by about half a percent.
This paper highlights the overall project and details the control and optimization applications.
3
INTRODUCTION
The Petromont Olefins Plant in Varennes is a joint venture between Dow, Canada and SGF which
is a Quebec Government Crown Corporation. The nominal capacity of the Olefins Plant is 292
thousand metric tones per year. Olefins products for the plant are completely consumed by
downstream polymer units which are fed by connecting pipelines.
Petromont Olefins Plant at Varennes has advanced process control applications (APC) for most of
the units. Ten Profit Controllers and a plant wide Profit Optimizer were commissioned by
Honeywell in November 1998 [1]. Profit Controllers were for the following units:
6 Furnaces,
Demethanizer, Cold Box, Ethylene Refrigeration,
Deethanizer,
Ethylene Fractionator, Propylene Refrigeration, and
Depropanizer including Condensate Stripper.
Scope of Profit Optimizer comprised all of the units above. In addition, important operating
constraints in process units that did not have APC were included in simplified form as Combined
Constraints with Profit optimizer. The Profit Optimizer had Combined Constraints for the
Quench, the CGC and the Acetylene Hydrogenation Unit (AHU).
A primary process constraint for the Acetylene Hydrogenation Unit is the maximum outlet
acetylene concentration that is governed by the Ethylene product specification. Since the Profit
Optimizer lacked a model for the AHU, a Combined Constraint for the AHU effluent
concentration was not possible. Instead, a Combined Constraint for the inlet acetylene
concentration was added as a proxy for the outlet concentration constraint. The upper limit for
this Combined Constraint was manually specified which for practical reasons had to be
conservative, and often limited Profit Optimizer moves and thus the performance by the process.
To obtain maximum optimization benefits, AHU model needs to be incorporated in the plant-
wide Profit Optimizer, which is the motivation for the current effort. This work is planned in two
phases. Phase I, which is discussed in this paper comprises a Profit Controller and a stand-alone
kinetic based optimizer for the AHU. In this framework, the AHU Optimizer sends MV desired
values to the AHU Controller that continuously moves the reactor operation towards the most
economical operating point. Scope for phase 2 of the project comprises integration of the AHU
Profit Controller and the AHU Optimizer to the existing plant-wide Profit Optimizer. At the time
of this writing in late 2002, the phase 2 of the project is in the final stages of completion.
PROCESS DESCRIPTION:
Petromont Olefins plant at Varennes, Quebec, Canada has a back-end Acetylene Hydrogenation
Unit (AHU) designed to reduce effluent Acetylene down to sub PPM level. AHU comprises
three reactors: one large and two identical smaller units. At any given time, two reactors are in
service while the third one is either regenerating or is in stand-by mode. The large reactor always
takes the lead position and the guard position is always taken by one of the smaller reactors. The
reactors are operated adiabatically with an intercooler between the two reactors. Overhead vapor
stream from the de-ethanizer tower mixes with a hydrogen rich stream from de-methanizer
overhead and is preheated before introduction in the first acetylene converter (lead bed). The
4
effluent stream from the lead bed mixes with additional hydrogen and is pre-cooled before
introduction in the second acetylene reactor (guard bed). Effluent stream from the guard bed goes
to the ethylene fractionator where high purity ethylene product is drawn in the overhead and sent
to polymer units. There are analyzers to measure hydrogen purity and acetylene concentration in
each of the two reactor feed streams. There also are on-line measurements of hydrogen and
acetylene concentration in the effluent streams. Typically, these analyzers are on 0 3 minute
cycle time. There are several measurements of temperature along the process flow. Figure 1 is a
simplified process flow diagram.
PROCESS CHEMISTRY
There are two main reactions in the acetylene reactors, a) the desirable reaction of conversion of
acetylene to ethylene and b) the undesirable reaction of conversion of ethylene to ethane.
1) Acetylene Hydrogenation:
C2H2 + H2 C2H4 (Reaction 1)
2) Ethylene Hydrogenation:
C2H4 + H2 C2H6 (Reaction 2)
Both reactions are exothermic. Acetylene Converters at Petromont are adiabatic so that the heat
of reaction is absorbed by the process fluid that increases the process fluid temperature gradually
along the reactor length. The two reactions proceed in parallel. The extent to which each of the
reaction proceeds depends on the rate of reaction that is discussed next.
Reaction Rates
The reaction rate equation gives a relationship between rate of reaction and the variables that
affect it. Such variables include various compositions, temperature, pressure, surface properties
of catalyst and reactor geometry.
Rate equations can take on many forms. For heterogeneous catalysis where the number of active
sites on the catalyst surface is rate limiting, such as the case here, the Langmuir-Hinshelwood
formulation is generally applicable [2, 3, 4]. It takes the following form for the abovementioned
reactions:
K
1
*
T E
e
/
1

* [C
2
H
2
]
X1
* [H
2
]
Y1
r
1
=
(1 + A
1
[H
2
] + B
1
* [C
2
H
2
] + C
1
* [C
2
H
4
])
Z1
K
2
*
T E
e
/
2

* [C
2
H
4
]
X2
* [H
2
]
Y2
r
2
=
(1 + A
2
[H
2
] + B
2
* [C
2
H
2
] + C
2
* [C
2
H
4
])
Z2
Catalyst Deactivation
Catalyst in the larger lead reactor deactivates rather rapidly and is typically regenerated every 8 to
12 weeks. The catalyst in the smaller guard bed deactivates somewhat slower and is also
5
regenerated every 8 to 12 weeks. Although the mechanism of catalyst deactivation is not very
well understood, it is generally believed that deactivation is caused by polymerization of
acetylene, for the sake of simplicity these reactions will be lumped as;
Acetylene Coke (Reaction 3)
Again for the sake of simplicity we can assume the following form of rate equation for the coking
reaction;
r
3
= K
3
*
T E
e
/
3

* [C
2
H
2
]
X3

The effect of coking on the main reactions is that of slowing down their reaction rates. This can
be adequately represented by multiplying each of the hydrogenation reaction rate by an
exponential decay factor such as
C d
i
e

, where C is the coke level on the catalyst and d

i
is an
appropriate coefficient.
ADVANCED PROCESS CONTROL (APC)
The primary objective of APC is to maintain all of the controlled variables within the operator
specified limits. A secondary objective is to implement the optimum operating targets for each of
the two reactors that are sent by the rigorous optimization application while honoring the operator
specified limits. Honeywells Profit Controller was utilized to attain these objectives.
Honeywells Profit Controller is a dynamic model based multivariable controller. This controller
also includes an optimization layer to exploit any extra degrees of freedom available to the
controller. The control layer of the Profit Controller utilizes a proprietary technology called
Range Control Algorithm (RCA) [5]. This technology allows the Profit Controller to tolerate
significant model mismatch. This was an important requirement for this application because one
of the important variables normally operates at or near zero that creates a model mismatch.
The optimization layer within Profit Controller contains an objective function that includes both
linear as well as quadratic terms. For many applications the optimization layer is adequate to
define the optimum operating point within the operating domain. The operating domain is
defined by the operator specified bounds on the controlled and manipulated variables. In the case
of AHU optimization, there are significant challenges (such as time dependency of variables,
non-linearities of the process etc.) that needed to be addressed by a rigorous, multi-period
optimization function external to Profit Controller. Therefore, the Profit Controllers
optimization layer in this case was primarily used as a conduit to pass the optimum targets from
the external rigorous optimizer to the Profit Controller control layer.
Manipulated Variables (MVs): There are 2 independent handles in the operation of each
reactor: inlet temperature and inlet hydrogen stream flow. For the two reactors in AHU there are
4 MVs.
Controlled Variables (CVs): The single most important CV in the AHU controller is the
acetylene concentration in the guard bed effluent stream. Other important CVs are there to
maintain viable reaction (prevention of quenching and run away conditions) and to maintain
controllability (avoidance of valve saturation). There are additional CVs for informational
purposes, an example being estimated ethylene gain in the AHU.
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Disturbance Variables (DVs): There are three measured disturbances to the process: reactor
feed flow, reactor hydrocarbon feed composition and the inlet hydrogen purity. These
disturbances add to the process non-linearity. From the control perspective, these disturbance
variables were combined into a single DV that was linear for the controller. Therefore, the Profit
Controller had a single disturbance variable.
Challenges
Profit Controller is a dynamic model based multivariable controller. The dynamic models used in
the Profit Controller are identified from plant step testing. It is very difficult to obtain a dynamic
process model for a variable that normally operates at or near zero. This is the case for the
acetylene concentration in the second (or guard) reactor effluent. The second challenge is to
control a concentration that normally operates at or near zero because the process becomes
discontinuous when the concentration reaches zero. Other minor technical challenges included
detecting which reactor is in service, in what position (lead or guard), and for how long (run-
length). The reactor in-service and position detection are important so that appropriate reactors
constraint can be addressed by the controller.
Opportunities
The good news is that most of the time there are degrees of freedom in the controller, meaning
there are more MVs than are needed for control purpose. These extra degrees of freedom are
exploited by the multi-period, rigorous kinetic model based optimization application (discussed in
next section). The optimum operating conditions are supplied to the Profit Controller in terms of
desired manipulated variable values by the optimization application. A quadratic function that is
part of the Profit Controller optimization layer then passes these desired values to the control
layer to move the process towards the optimum conditions.
OPTIMIZATION
In general, the objective of optimization is to determine the values of independent variables that
maximize a given objection function that is consistent with prescribed process constraints.
Usually the objective function is defined as an economic profit function. Implied in optimization
is a process model that relates the various variables. These relations usually are manifestations of
mass and energy conservation equations. For a steady state process the optimization problem
simplifies to maximizing the instantaneous value the objective function;
Max P(x)
S/t
M(x) = 0
LL < C(x) < HL
For an unsteady state process, where the variables are function of time, the objective function
becomes an integral and the model and constraints could include time dependent variables;
Max

max
0
) , (
t
dt t x P
S/t M( x ,x, t) = 0
LL < C( x ,x, t) < HL
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For AHU, the problem is still more complex as two differential variables are involved. Although
an assumption of pseudo steady state for reactors is adequate, nonetheless the reaction rates
change along the reactor length. And by including the catalyst decay over time, the reaction rates
become time dependent;
Max

max
0
)) , ( (
t
dt t V x P
S/t
M( x (t,v), x(t,v), t, v) = 0
LL < C( x (t,V), x(t,V), t, V) < HL
This is indeed a difficult problem to solve. Engineering judgment is required to make the
problem tractable without losing the essence of the problem. The details of approach taken for
the current project are discussed next.
Objective function
Time is discretized into N equal intervals over the entire time horizon, so our objective function
simplifies to a summation;
Max

=
N
i
i
t V ET
1
) , (
Process Model
The rate equations need to include catalyst deactivation;
K
1
*
T E
e
/
1

* [C
2
H
2
]
X1
* [H
2
]
Y1
r
1
= * e
-D1*[Coke]
(1)
(1 + A
1
[H
2
] + B
1
* [C
2
H
2
] + C
1
* [C
2
H
4
])
Z1
K
2
*
T E
e
/
2

* [C
2
H
4
]
X2
* [H
2
]
Y2
r
2
= * e
-D2*[Coke]
(2)
(1 + A
2
[H
2
] + B
2
* [C
2
H
2
] + C
2
* [C
2
H
4
])
Z2
r
3
= K
3
*
T E
e
/
3

* [C
2
H
2
]
X3
(3)

Note that the net effect of inclusion of catalyst deactivation is that the original ODEs become
PDEs. As we noticed earlier, inclusion of catalyst deactivation also leads to a multi time period
objective function. Indeed the optimization problem formulation with deactivation is more
complex but it is also more realistic. Solution to this problem will give realistic operations policy
that will be consistent with desired reactor run length.
Differential heat and mass balances for each time period are;
[H2]

/ v = (r
1
+ r
2
) / F (4)
[C2H2]

/ v = r
1
/ F (5)
[C2H4]

/ v = (r
1
r
2
) / F (6)
[C2H6]

/ v = r
2
/ F (7)
8
[Coke]

/ t = r
3
(8)
T

/ v = (r
1
Hr
1
+ r
2
Hr
2
) / (F * CP) (9)
Above 9 equations represent the model for a single reactor in a single time period. The second
reactor will have similar equations. And this model will basically be repeated for each of the time
periods. Multi-time period model is obtained by connecting successive time period models by a
common thread of progressive coke buildup.
There will be auxiliary algebraic equation to represent additional heat and material balance
relationships for example for mixing of hydrogen and hydrocarbon streams.
Constraints
Constraints for the optimizer are the same as those for the AHU controller as described earlier.
Solution technology
The model described above is numerically stiff as acetylene concentration changes by more than
four orders of magnitude. Traditional numerical integration techniques such as Runge-Kutta and
predictor-corrector are computationally too slow for on-line use even with todays fast computers.
The least squares kinetic parameter estimation problem to identify coefficients of the rate
equations are two point boundary value problems that require iterative solution of the model
equations, compute time for which will be impractical with traditional numerical integration
techniques.
Orthogonal collocation is a finite element technique that converts differential equations into
algebraic equations [6, 7]. These algebraic equations can then be solved very efficiently using
modern SQP solvers such as NOVA [8, 9].
Honeywells acetylene reactor models utilize the orthogonal collocation technology and are
written in open form. In open formulation, all model equations, constraints and optimality
conditions are solved simultaneously. Open formulations also provide a complete flexibility in
changing the specification of variables. The end result is that a single model can be used for
parameter estimation, for simulation and for optimization simply by changing the specification of
the variables. For example, for parameter estimation case, reactor operating conditions and
reactor inlet and outlet streams are fixed while the kinetic parameter are optimized; for
simulation case, the kinetic parameters, reactor inlet stream and rector operating conditions are
fixed while the reactor outlet streams are calculated; and for the optimization case, the kinetic
parameters and inlet streams are fixed while the reactor operating conditions are optimized
and the reactor outlet streams are calculated.
Optimization cycle
On-line optimization is a cyclical activity [10]. A typical optimization cycle is shown in figure 2.
It comprises following 6 steps;
1. Steady state detection
Here we are dealing with a pseudo state reactor model. It is important to ensure that
process data used for optimization calculations is representative of a steady operation.
2. Data Reconciliation & Parameter Update (DRPU)
Despite the best efforts of all parties, neither the model nor the process measurements are
perfect. Purpose of this step is to fit the model to the current operation of the process; this
9
way the constraints can be meaningfully applied. This is usually accomplished by
adjusting the lead coefficients in the rate equations and by biasing model variables to
match process measurements. A single time period model is adequate for the DRPU
case.
3. Simulation
For nonlinear optimization, it is helpful to have a reasonably consistent initialization.
Purpose of this step is to perform a multi time period simulation to generate a consistent
initialization for the optimization step.
4. Optimization
Optimization is performed with current CV and MV limits. In addition, it is usual to
apply step limits to keep the optimization from making very large moves.
5. Consistency check
Purpose of this step is to ensure that the state of the process has not changed since the
start of optimization.
6. Setpoint implementation
Results of optimization are downloaded as desired values to the AHU Profit Controller
for implementation.
In addition, an independent watchdog functionality is also required to ensure that only fresh
optimization results are implemented by the controller. If for some reason fresh optimization
results are not available then the watchdog inactivates the implementation of stale optimization
results.
PROJECT DETAILS
Scope
Scope of the current project comprises a Profit Controller for the AHU and a stand alone, kinetic
based, non-linear optimizer for the AHU. The project was kicked off in Dec. 2000.
Objectives
The objective of AHU Profit Controller is to maintain control of the AHU process. The objective
of the AHU Optimizer is to determine MV desired values that maximize ethylene production and
are consistent with desired reactor run-lengths and controller constraints. The AHU Profit
Controller implements the MV desired values determined by the AHU Optimizer. It is expected
that APC and Optimization will significantly reduce average hydrogen to acetylene ratio.
Systems Overview
Petromont Varennes has recently upgraded to Honeywell TPS system. The exiting Profit
Controllers and Profit Optimizer resided on two Honeywell Application Nodes (APP-nodes).
AHU Profit Controller resides on one of the existing APP-nodes. AHU Optimizer is installed on
a new personal computer with Microsofts NT operating system.
AHU Profit Controller Design & Commissioning
6MVs, 16CVs and 1 DV for the AHU Profit Controller were defined, plant step tests were
conducted and dynamic models were identified. Profit Controller was installed and
10
commissioned on the cold-side APP-node in October 2001. Controller execution frequency is
once every 30 seconds.
AHU Optimizer Design & Commissioning
Nonlinear Optimizer and Optimizer Watchdog were configured for Petromont reactors. Several
sets of plant data over the entire reactor run length were collected. This plant data was used to
regress the parameters for the kinetic model. AHU Optimizer was installed and commissioned on
the new NT computer in October 2001. Optimizer execution frequency averages once every 5
minutes.
In May 2002 some instrumentation changes were made in the AHU that required changes to the
AHU Optimizer model. These changes were subsequently made and the Optimizer was restarted
in September 2002.
Benefits
Use of AHU Profit Controller and AHU have led to a smoother operation of the Acetylene
Hydrogenation Unit. Working together, the controller and the optimizer have reduced the
average Hydrogen to Acetylene ratio that has resulted in a net improvement in the ethylene yield
by about half a percent that translates to close to a million dollars per year. Figure 3 shows
typical moves by AHU Controller and Optimizer.
Challenges
Petromont Varennes is a very dynamic plant. Disturbances in feed flow rate and feed
compositions to the olefins plant are common; as a consequence the AHU is subjected to many
changes in its feed flow rate and feed composition. Because of the fast reactor dynamics and
because of finite analyzer dead time and because of the severity of impact of AHU effluent
acetylene composition on the Ethylene product quality; the controller has been tuned to take fairly
aggressive action. By design, the optimizer is designed to take somewhat slower actions so as not
to interfere with the controller actions. Slower response of the optimizer implies lost profit
opportunity. There is a tradeoff between control and optimization functions; a careful tuning of
the control actions and the optimization actions are required to obtain the maximum benefits from
the AHU applications.
CONCLUSION
Honeywells Profit Controller and Optimizer technology has been successfully applied to the
Acetylene Hydrogenation Unit at Petromont Varennes Olefins Plant. Application of these
applications has resulted in a smoother operation and a net improvement in the ethylene yield by
about half a percent.
ACKNOWLEDGEMENTS
We would like to thank S. Tatlock, R. Dinello, Z. Alzein, S. Norris and AppTech for their support of this
work. We would also like to thank the management of Petromont and Honeywell for permission to publish
this work.
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Nomenclature
C Constraint equations
CP heat capacity, J/mole/K
ET amount of ethylene in AHU effluent, moles/sec
F feed flow rate, mole/sec
HL high limit
i index variable
LL lower limit
M Model equations
N number of time intervals
ODE ordinary different equation
P objective function
PDE partial differential equation
r rate of reaction, moles/sec/M3
s/t subject to
t time, sec
T temperature, K
v reactor volume integration variable, M3
V reactor volume, M3
x generic variable
[X] concentration of species X, mole fraction or moles/M3
Ai, Bi, Ci, Di, Ei, Ki, Xi, Yi and Zi refer to kinetic parameters
Hr heat of reaction, J/mole
differential symbol
/ v partial derivative with respect to reactor volume
/ t partial derivative with respect to time
superscipts
derivative
12
REFERENCES
[1] Nath, R., Z. Alzein, R. Pouwer and M. Lesieur, On-line Dynamic Optimization of an
Ethylene Plant using Profit Optimizer, 12
th
Annual Ethylene Producers Conference, Atlanta, GA
(2000).
[2] Nasi, M., M. Alikoski and D. C. White, Advanced Control of Acetylene Hydrogenation
Reactors, Hydrocarbon Processing, June (1985).
[3] Malik, S. A. and D. A. Fortin, Non-linear Constrained Computer Control of Hydrogenation
Reactions in Acetylene Converter, AIChE Annual Meeting, San Francisco, (1989).
[4] Weiss, G., Modelling and Control of an Acetylene Converter, J. Proc. Cont., 6(1), 7, (1996).
[5] Anonymous, RMPCT Concepts, Honeywell Internal Technology Document, (1998).
[6] Villadsen, J. and M. L. Michaelsen, Solution of Differential Equation Models by
Polynomial Approximation. Prentice Hall, Englewood Cliffs, New York (1971).
[7] Finlayson, J., Nonlinear Analysis in Chemical Engineering. McGraw Hill, New York (1980).
[8] Anonymous, Users Manual for NOVA Optimization System, Dot Products Inc. , (1998).
[9] Anonymous, Users Manual for NOVA DAE System, Dot Products Inc., (1998).
[10] Anonymous, ProfitMax Configuration Guide, Honeywell Training Document, (1997).
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Figure 1: Acetylene Hydrogenation Unit: PFD
Figure 2: AHU Optimization Cycle
SS detection
DRPU
SIMULATION
OPTIMIZATION
Consistency
Check
Download
AHU PROCESS
AUH Controller
Data collection
SS detection
DRPU
SIMULATION
OPTIMIZATION
Consistency
Check
Download
AHU PROCESS
AUH Controller
Data collection
L
e
a
d

B
e
d
G
u
a
r
d

B
e
d
Feed
Heater
Inter-cooler
H from DC1
2
From
DC2
To
C2S
L
e
a
d

B
e
d
G
u
a
r
d

B
e
d
Feed
Heater
Inter-cooler
H from DC1
2
From
DC2
To
C2S
14
Figure 3: Sample AHU Controller and Optimizer moves