Syngenta Technical Presentation

Huddersfield, October 2002

PROCESS OPTIMISATION with ON-LINE SIMULATION by John E. Edwards

P & I Design Ltd 2 Reed Street, Thornaby, UK, TS17 7AF Tel: + 44 (01642) 617444 Fax: + 44 (01642) 616447 jee@pidesign.co.uk

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Process Optimisation with On-line Simulation

Contents 1.0 2.0 3.0 4.0 5.0 6.0 Introduction Process Simulation Fundamentals On-line Simulation Techniques Process Optimisation On-line Simulation Benefits Case Studies

References 1. 2. 3. 4. 5. 6. 7. J.E.Edwards, Dynamic Modelling of Batch Reactors and Batch Distillation, Batch Reactor Systems Technology Symposium, 2001. (Available as download www.pidesign.co.uk ) F.G. Shinskey, Process Control Systems, McGraw-Hill, 1967. E.Sorensen, Principles of Dynamic Simulation, IChemE CAPE Subject Group Mtg, 2002. J.E.Edwards, M.M. Morgan, SCADA Enabled Batch Reactor Modelling P&I Design Ltd. J.E.Edwards, SCADA Dynamic Data Exchange-DDE Excel Interface P&I Design Ltd. M.Dodge, C.Kinata, C.Stinson Microsoft Excel 97, Microsoft Press. J.E.Edwards, Thermodynamics Guidance Note, UK CHEMCAD Symposium, 2001.

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Process Optimisation with On-line Simulation

1.0

INTRODUCTION Chemical processes are carried out using two main types of operation namely batch and continuous process. There are general characteristics which can be associated with each type of operation as follows: Batch processes Low to medium capital investment. Low to medium cost to rectify design errors. Low volume high value products. Multi-purpose production capability. Low to medium production costs. Limited savings from yield improvements and reduced cycle times. Reproducible processing essential for regulation compliance. Continuous processes Medium to high capital investment. Medium to high cost to rectify design errors. High volume low value products. Dedicated production facility. Medium to high production costs. Significant potential for savings from increased quality and plant throughput. Significant benefits form energy and waste minimisation. A review of the above characteristics would suggest that there are very significant benefits to be gained on continuous process plant whereas on batch processes the benefits will be more problem specific with optimum batch process scheduling being the priority. Batch processes are transient in nature requiring dynamic simulation whereas continuous processes are inherently stable making them ideal for steady state simulation which can be considered a special case of dynamic simulation. However dynamic simulation is used to study the behaviour of continuous processes, subject to feed flow and composition changes, and the control system performance in achieving optimum conditions. It will be shown that once a process simulation has been calibrated against real plant performance it can be used to optimise the production process, predict unmeasured parameters, monitor equipment condition and as an aid to diagnose operational problems. It has been found that simulation sometimes produces counter intuitive results. This paper presents an easy to implement, economic solution for interfacing operating plant SCADA systems with on- line simulation engines, in this case the Chemstations integrated range of software products incorporating CHEMCAD. Simulation software is supported by extensive component physical property databases and thermodynamic options providing the capability to realistically model the process conditio ns. A training simulator based on a typical batch reactor control system is presented which allows a detailed study to be made of the reaction characteristics by design and operations personnel to ensure safe and efficient operation. A steam generation and distribution system dynamic simulation is also presented in which the excess steam is controlled to a preset rate.
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Process Optimisation with On-line Simulation

1.0 Introduction (Cont.)

Relatively inexpensive simulation tools can achieve very significant savings in the design and build process. A study of the project cost impact curves below demonstrate the well established fact that mistakes are more costly to rectify the further you are into the project life cycle so to use all available design tools makes sound economic sense.

PROJECT COST IMPACTS

1 COST IMPACT 0.8 0.6 0.4 0.2 0
Detail Design0.4 Procurement Construction Commission 1 0 Conceptual 0.2 0.6 0.8

PROJECT TIME Problem Discovery Design Decisions

Process simulation provides a powerful design tool to establish the adequacy of the equipment design and performance at an early stage in the design process. The SCADA enabled model also provides the facility to integrate proprietary manufacturers data into the simulation and to study the impact of parameter changes during a dynamic simulation.

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Process Optimisation with On-line Simulation

2.0

PROCESS SIMULATION FUNDAMENTALS (3) In a chemical process total mass, individual component mass and total energy can not be generated or consumed; in other words mass and energy balances are maintained over a time period. Process dynamics is determined by these fundamental principles.
Accumulation of total mass = Flow of total mass In Flow of total mass Out Accumulation of component A = A(Flow In Flow Out) + A(Generated Consumed)

A batch process, being a closed system as no mass crosses the system boundary during the time period covered by the balance, has an energy balance of the form:
Net system energy transfer = Final system energy Initial system energy

Where net system energy transfer is work done on the system by its surroundings and heat transfer between the surroundings. A continuous process, being an open system as mass crosses the system boundaries as the process occurs, has an energy balance of the form.
Total energy in = Total energy out Input stream total energy (kinetic, potential, internal) + Net system energy transfer = Output stream total energy (kinetic, potential, internal)

Note that the accumulation, generatio n and consumption terms have disappeared for a continuous steady state process yielding the special case of Input = Output. Process dynamics are further determined by the constitutive relationships of heat transfer, vapour liquid equilibrium and reaction kinetics:
Q = U A T

y i = Ki x i

r A = k CA CB

Before a simulation can be solved certain input variables and chemical/physical property parameters need to be specified. The degrees of freedom (DoF) is the number of independent input variables that must be specified in order to define the process completely. A process defined by two equations and six variables has a DoF of four. A process stream condition is determined by the intensive variables Pressure, Temperature, Enthalpy and Vapour Fraction. The stream condition is defined by any two of the four variables, giving a DoF of two. Selection of the correct thermodynamic models(7) for enthalpy and equilibrium are critical and must be validated against known data. Incorrect thermodynamic model selection renders the simulation meaningless. The simulation engines consist of stand alone equation based models, which can be user specified, for specific unit operations which can be connected to each othe r in an open format manner using streams to create the simulation flowsheet. A dynamic simulation is performed by initialising and re- initialising a sequence of calculation steps until the convergence parameters are satisfied. The convergence procedure compares the selected parameter values of the current step with the previous step until the specified tolerance is achieved. A dynamic simulation can be considered to be a series of steady state simulations which is a feature taken advantage of in on- line simulation such that steady state simulators can be used for pseudo dynamic simulation. Simulation failures (95%) occurring at initialisation are due to inconsistent equations, bad choice of specification or wrong syntax. Failures result from illegal arithmetic operations such as negative number raised to fractional power and division by zero. Failures during the step are due to incorrect variable bounds, calculation accuracy or incorrect equations.
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Process Optimisation with On-line Simulation

3.0

ON-LINE SIMULATION TECHNIQUES Process plants ha ve been operated using distributed control systems (DCS), complete with graphical user interfaces (GUI), since early 1970. The advent of PC based supervisory control and data acquisition (SCADA) software systems in early 1980 and their acceptance as reliable monitoring tools with appropriate operational and safety integrity has seen their increasing use. Dynamic and steady state process simulation software with open interface capability can now be linked on- line with operating process plant. The dynamic d ata exchange (DDE) capability of Microsoft Excel can provide a platform for this interface. A typical batch reactor(4) training simulator using these features is shown:

DDE DATA EXCHANGE

CHEMCAD MODEL DIRECT HEAT / INDIRECT COOL

4 2 TC 11 TC 1 15
T 138 W 45000

OLE DATA EXCHANGE

5 8 9

Heat Transfer Oil Return

T 49 W 13696

3 6

5
T 49 W 45000

10

T 49 W 31304

17 13 18 12 13 16 Coolant 11
T 138 W 45000

8 12
W 0

10 4
T 138

7 3 2
T 138 W 45000

6 1

Heat Transfer Oil Supply

T 300 W 13697

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Process Optimisation with On-line Simulation

3.0 On-line Simulation Techniques (Cont.)

The data exchange interface(5) can transfer data between Excel and any enabled data cell in the process simulation by treating CHEMCAD as an Automation Server using object linking and embedding (OLE) data transfer. The stream condition is specified using the intensive variables of pressure, temperature and weight fraction. The total stream flowrate and component flowrates are given in the units selected. On-line process data is downloaded from the SCADA system and data transfer to Excel is achieved by using a DDE interface. In this way data is transferred via Excel to or from the CHEMCAD model and to or from the on-line SCADA system. Once the data is in Excel(6) the possibilities for improving plant performance on-line are limitless depending on the users own ingenuity. For example the data can be manipulated to calculate process target conditions, equipment operational abnormalities and predict process parameters that cannot be measured. Data flow and control is shown in the diagram below together with the system format rules. An extremely powerful feature allows a cell conditional statement or function to control the CHEMCAD model and the SCADA data field. This provides the facility to develop and test various advanced control strategies such as adaptive control and control parameter scheduling. D A TA FLOW & CONTROL
SYSTEM RULES UNIT OP & DESCRIPTION Equipment 1 REACTOR SCADA 2CC Ref Row UnitOp Blank Description Data Units UNIT OP & DESCRIPTION Equipment 11 Reactor Contents Temperature Controller DATA FORMAT Contents Temperature SP 120.00 C

CHEMCAD CHEMCAD Reads Writes

DATA FORMAT

CHEMCAD Reads
PARAMETERS CONTROLLED BY CHEMCAD

COLUMN D
Contents Temperature

Reactor Wall Temperature

Contents Pressure

Liquid Volume

SCADA Ref Row

0.00

0.00

0.00

0.00

ROW 13

PARAMETERS CONTROLLED BY SCADA Controller Proportional On/Off Band 1.00 25.00 % Integral Time 0.00 Mins Derivative Time 15.00 Mins

SCADA & 2CC Ref Row

Data Units

ROW 21

PARAMETER CONTROLLED BY EXCEL

SCADA Reads SCADA Writes

ADAPTIVE CONTROL

IF((D21-D13)<10,30,0)

SCADA Reads

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Process Optimisation with On-line Simulation

3.0 On-line Simulation Techniques (Cont.)

Data arrays can be used to predict the performance of specialised process equipment using manufacturers third party software. This allows the modelling of specialist equipment in CHEMCAD without the need to develop new UnitOps providing significant saving in development time. For example special heat exchanger configurations such as plate/plate, plate/shell and graphite cubic blocks can be modelled dynamically by establishing an unfouled OHTC data array based on fluid temperature and process flow from manufacturers proprietary rating software and then using a control cell set up for Indirect/Address/Match functions to predict prevailing the overall heat transfer coefficient from the current operating conditions. The operating temperature(C4) and flow(C5) are downloaded from the plant control system and Excel locates the appropriate cell for clean OHTC(K9) which is then applied to the heat exchanger in the simulation.

The heat exchanger simulation, as shown below, will provide the inlet outlet temperatures that can be expected and these can be compared with the operating temperatures to predict fouling. It can be shown that the impact of fouling on the effective area is given by Af = + UC 1 AC hf where AC is the clean HTA, Af is the dirty and UC is the clean OHTC.

tubeside t1 shellside T1

T 80 W 600000 T 121 W 95500

T2 t2

T 280 W 95500 T 115 W 600000

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Process Optimisation with On-line Simulation

3.0 On-line Simulation Techniques (Cont.)

The data that can be made available to Excel enables parameter manipulations to be made for the study of advanced control techniques(2) in the dynamic process model. Dual mode control where the control modes Proportional(P), Integral(I) and Derivative(D) can be switched on and off dependent on some derived process parameter is readily achieved. For example when heating a batch reactor to a set temperature there is a permanent error between controller set point and the reactor contents temperature. If the Integral control mode was switched on the controller would continue to integrate this error resulting in its output driving to 0% or 100% leading to measured variable overshoot. The example shows the use of P&D modes only until the deviation (error) is less than 10% when the I mode is switched on.

Inspection of the above example indicates that all the key controller parameters are available for manipulation in Excel including driving the controller between Automatic and Manual modes. The blue cells will contain DDE data call formula to access parameters in the plant SCADA system. Adaptive control where the control parameters are automatically adjusted to compensate for variations in selected process parameters is also achievable. Multiple loop control techniques, such as cascade control, ratio control and override control, can be investigated for performance and interaction problems. For steady state on line optimisation the data calls from the SCADA server need to be based on preset time intervals. This timed data call can be controlled using the VBA macros. The use of timing macros also allows for controller set point ramping strategies to be developed which is an important feature in the batch process industry.

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Process Optimisation with On-line Simulation

3.0 On-line Simulation Techniques

This technique can be used on steady state simulation, where accumulation in the system can be ignored, or on dynamic simulation provided the appropriate Chemstations process modelling software module is used. The basic software structures available for steady state and dynamic process simulations are shown below:

Exc e l CCD COLUMN Physical Properties Database CHEMCA D

CC-Re A CS Interface

CC-THERM

PROCESS MODEL

OPEN INTERFACE

SCADA SYSTEM

PROCESS PLANT

The on- line mode is used for the calibration of the dynamic process model with real plant data and process optimisation. The parameters in the model are adjusted until agreement is achieved with real plant data. For example the dimensional and operational data for a batch reactor and the component data can be entered for the heat transfer fluid and the reactor contents into the CCReACS dynamic model. The on- line SCADA system monitors the jacket inlet temperature which is downloaded to the model via the Excel DDE interface. We can now compare the reactor contents temperature derived by the model with the actual temperature from SCADA and optimise accordingly. These techniques can be used in an off- line mode for design validation and optimisation. The designer can study equipment performance under anticipated process fluid physical conditions. Equipment design parameters can be modified as a function of the measured and calculated process variables in real time to optimise equipment sizing and scale up. Control system configurations and strategies can be tested for suitability and tuning parameters optimised. The off- line mode can also be used as a training simulator providing operators with the opportunity to study the behaviour of a virtual process plant using the actual SCADA display used on the real process plant.
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Process Optimisation with On-line Simulation

4.0

PROCESS OPTIMISATION Process optimisation with on- line simulators is now recognised as an essential management tool to achieve optimal asset utilisation and performance. This technique has been applied successfully to continuous process plant using steady state simulators in a pseudo dynamic mode where process data is sampled on a timed interval basis and compared with the steady state simulation results. For any on- line optimisation application to be a success the simulation must be calibrated to represent the real process as closely as possible and be operationally robust. Once a process simulation has been calibrated the potential for improving plant performance and operational efficiency are significant as it provides a powerful management tool to assist in identifying process and equipment problems at an earlier stage than might otherwise have been practicable. There are several key areas where this can be achieved. 1 Operations Optimise process cycle times Predict plant shutdowns for catalyst change and equipment cleaning Optimise process yields Study sensitivity of yields to process parameter changes Study sensitivity of energy consumption to process parameter changes Test different control strategies and tuning parameters Monitoring Data reconciliation and process fault diagnosis Predict process parameters that cannot be measured on-line Predict temperature and composition profiles in columns Predict composition profiles in reactors Estimation of physical properties in real time Environmental auditing and reporting Maintenance Equipment fault diagnosis Predict hydraulic conditions in columns to identify internals failures Identify deterioration in equipment performance Predict heat transfer surfaces fouling Troubleshooting and instrumentation fault diagnosis Economic Stream properties can be used for detailed heat and energy balance studies Equipment efficiencies can be calculated on- line and compared with the theoretical efficiencies Total plant energy consumption can be calculated on- line and compared with the theoretical energy consumption to reduce manufacturing costs and save energy

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Process Optimisation with On-line Simulation

5.0

ON-LINE SIMULATION BENEFITS One of the main benefits that can be attributed to on-line simulation is providing management with a significant potential to improve their economic performance in the optimisation of asset utilisation. Specific benefits accruing from the use of this capability are extensive and include: Improved operator understanding reduces costly errors and achieves consistent operation at economic optimum. It allows operations personnel to identify, troubleshoot and correct problems more readily enhancing production efficiency and safety. Improved process yields and efficient use of energy due to the better understanding. Monitoring, diagnostic and maintenance planning tool reducing costly equipment failures and minimizing down-time. The ability to change model parameters during the simulatio n run time provides a powerful feature for the study of dynamic process responses to process upsets. Specific benefits resulting from this capability are summarised below: Study effect of feed and recycle composition changes. Study effect of process parameter change such as agitator speed and circulation rates. Study effect of control loop tuning parameter changes. Investigate utility stream restrictions on production throughputs.

Linking the process simulation to SCADA provides improved visualisation facilities which are of benefit in the on- line and off- line modes: SCADA real time display facilities allows trending of measured and calculated process parameters leading to enhanced process understanding. SCADA history facilities allows storage of process variables and settings for future analysis. Dynamic simulation techniques allow the development of inexpensive process specific training simulators which can reproduce specific process situations to be studied. Start up or shutdown sequences, upset or emergency conditions and new control strategies are typical scenarios. Correct application of training simulators can lead to accelerated start up of new or modified plants, more reliable operation and faster recovery from process disturbances. Finally using these techniques as an off- line design tool allows identification of potential problems at an early less costly rectification stage of the project, provides an increased confidence level in the design and minimises costly delays attributable to design errors during start up.

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Process Optimisation with On-line Simulation

6.0

CASE STUDIES Case studies include bleaching chemical production by continuous process, methanol distillation by batch and continuous and training simulators for batch reactor control and boiler control and steam distribution systems. The batch reactor simulator is shown.

6.1

Batch Reactor Training Simulators (1) A series of system configurations, which are commonly used in the pharmaceutical and fine chemicals industry, have been developed. Two typical reactor systems are shown with other configurations having various heat exchanger and control arrangements.

6.1.1 Basic Direct Heat / Direct Cool Configuration

BATCH REACTOR JACKET SERVICES BASIC HEAT/COOL CONTROL SYSTEM
OVERHEAD 14

15 8 STEAM 9 barg 1 3 2 6 3 4 1 TC

10

5 13 11

COOLING WATER RETURN 12

9 COOLING WATER SUPPLY 7 4 8 7 9 TC 10 5 2 6 CONDENSATE

6.1.2

Direct Heat / Indirect Cool Configuration The batch reactor simulator shown demonstrates the use of a typical cascade control system where the primary measurement is the reactor contents and the secondary measurement is the jacket inlet temperature. The controllers in the model receive the set points, tuning parameters and auto/manua l select logic from the SCADA system and the simulation provides process variables, controller outputs and heat exchanger parameters to the SCADA for display and trend.
4 2 TC 11 TC 1 15 5
T 49 W 45000

5 8 9

Heat Transfer Oil Return

T 49 W 13696

3 6

10

T 138 W 45000 T 49 W 31304

17 13 18 13 16 Coolant 11
T 138 W 45000

12

8 12
T 138 W 0

10 4 3

7 2
T 138 W 45000

6 1

Heat Transfer Oil Supply

T 300 W 13697

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Process Optimisation with On-line Simulation

6.1.2 Direct Heat / Indirect Cool Configuration (Cont.)

The SCADA screen shot below shows a typical graphical representation of a batch reactor system incorporating the primary and secondary controller face plates for the operator interface. The graphic operates dynamically during the run time and the operator is unable to distinguish its behaviour from the real plant. The trend plots show a dual mode control strategy where the Integral Action Time (Ti) is switched on when the deviation between reactor contents temperature and primary set point is <10C. The SCADA enabled model allows the study of the effect of increasing Ti to minimize overshoot. Standard SCADA trend facilities provides a powerful tool to compare interdependent parameters.

Ti =30

Ti =45

Ti =60

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Process Optimisation with On-line Simulation

6.2

Steam Generation and Distribution System A typical steam distribution system simulation is shown with two fixed flow users (streams 17 & 30) and one variable flow user(stream 31) which is specified in the model as the excess steam requirement. Excel is used to calculate the total heat duty of the steam boiler based on a total system heat balance using the CHEMCAD stream enthalpies and specific heats. The boiler level is controlled dynamically using a three element feedforward control model. This example, though mathematically trivial, would involve complex modelling techniques to achieve the same result in a simulation engine.
Excess Steam Process 29 Steam (Fp) 24 7 6
LC

Generic Steam Generation System with Three Element Level Control

31

17

Vent Steam (V)

19 F=S 2 1 11 Level Trim 12 6 Steam Flow (S) 3 1 8 5 26 21 8 Boiler Steam Drum 9 11 13 13 12 5 BFW Make Up (Fm) 20 10 Deaerator 14 Recycle (R) 30

24 19 16

4 FC

BFW Flow (F) 17 22 BFW Flow (F) 27 7 14 20 25 10 Steam Flow (S) 18 3

Turbine (10/3 bar)

FC
4

18 23

9 22 Blowdown

16 21 15 15

Fm = Fp + V

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Process Optimisation with On-line Simulation

6.2 Steam Generation and Distribution System (Cont.)

The simulation flowsheet presentation does not provide a clear view of the process under study to untrained personnel and has serious limitations for visualisation. The SCADA mimic provides a clear presentation together with a real time indication of the process and simulation parameters. However drawing features available in Excel allows for a clear visualisation of the simulation, see below, which could be used by operations personnel. The data cells are positioned in such a way to allow for the graphical presentation and cells which allow model parameter changes are masked by a graphical object.

Stream 6 Total mass rate Temperature Enthalpy 19142 180 53132 kg/h C MJ/h Stream 31 Enthalpy Total mass rate Enthalpy 2.776 9142 25376 MJ/kg kg/h MJ/h

State 0

Equip. 1 DVSL Calc lev 1 3.0 m

V101 Stream 17 Total mass rate Enthalpy 5000 13878 kg/h MJ/h

Equip. 22 FIRE Heat Absorbed Fuel Usage(SCF) 44320 91142 MJ/h

Boiler

Firing Section Mud Drum

Heat Duty 44320 MJ/h

Stream 8 Enthalpy 0.56 MJ/kg Total mass rate 29620 kg/h Enthalpy 16652 MJ/h

Excess Steam Setting Flow Set Point Enthalpy 10000 22160 kg/h MJ/h

BOILER LEVEL

SP 5.5 MV 3.0 Equip. 5 PIDC Ctrl output 20 1.0

EQPT 01

OP 1/0

P ISETTINGS D

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