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UNPUBLISHED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

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 15th 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.

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 plantwide 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

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 2) Ethylene Hydrogenation: C2H4 + H2

C2H4 C2H6

(Reaction 1) (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: K1 * e 1 * [C2H2]X1 * [H2]Y1 (1 + A1[H2] + B1 * [C2H2] + C1 * [C2H4])Z1 K2 * e E2 / T * [C2H4]X2 * [H2]Y2 (1 + A2[H2] + B2 * [C2H2] + C2 * [C2H4]) Z2
E / T

r1

r2

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

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; r3 = K3 * e
E3 / T

* [C2H2]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 d C exponential decay factor such as e i , where C is the coke level on the catalyst and di 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 (runlength). 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 S/t LL < P(x) M(x) = 0 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;
t max

Max S/t

P( x, t )dt
0

M( x ,x, t) = 0 LL < C( x ,x, t) < HL

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;
t max

Max S/t

P( x(V , t ))dt
0

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

ET (V , t )
i =1 i

Process Model
The rate equations need to include catalyst deactivation; K1 * e E1 / T * [C2H2]X1 * [H2]Y1 * e-D1*[Coke] (1 + A1[H2] + B1 * [C2H2] + C1 * [C2H4])Z1 K2 * e 2 * [C2H4]X2 * [H2]Y2 * e-D2*[Coke] (1 + A2[H2] + B2 * [C2H2] + C2 * [C2H4]) Z2 K3 * e
E3 / T E /T

r1

(1)

r2

(2)

r3

* [C2H2]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 [C2H2] / v [C2H4] / v [C2H6] / v

= = = =

(r1 + r2) / F r1 / F (r1 r2) / F r2 / F

(4) (5) (6) (7)

 [Coke] / t T/ v

= =

r3 (r1Hr1 + r2 Hr2) / (F * CP)

(8) (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

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

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 CP ET F HL i LL M N ODE P PDE r s/t t T v V x [X] Constraint equations heat capacity, J/mole/K amount of ethylene in AHU effluent, moles/sec feed flow rate, mole/sec high limit index variable lower limit Model equations number of time intervals ordinary different equation objective function partial differential equation rate of reaction, moles/sec/M3 subject to time, sec temperature, K reactor volume integration variable, M3 reactor volume, M3 generic variable concentration of species X, mole fraction or moles/M3 refer to kinetic parameters

Ai, Bi, Ci, Di, Ei, Ki, Xi, Yi and Zi 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

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REFERENCES
[1] Nath, R., Z. Alzein, R. Pouwer and M. Lesieur, On-line Dynamic Optimization of an Ethylene Plant using Profit Optimizer, 12th 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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From DC2

Guard Bed

Lead Bed

Feed Heater

Inter-cooler

To C2S

H2from DC1

Figure 1: Acetylene Hydrogenation Unit: PFD

AHU PROCESS Data collection AUH Controller Download DRPU

SS detection

Consistency Check

SIMULATION

OPTIMIZATION
Figure 2: AHU Optimization Cycle

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Figure 3: Sample AHU Controller and Optimizer moves

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