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Computers and Chemical Engineering Supplement (1999) 5929-5943

(> t999 Elsevier Science Ltd. All rights reserved
PIl: 50098-1354199/00057-5
Handling the increasing complexity of
detailed batch process simulation and
Luis Puigjaner
Chemical Engineering Department, Universitat Politecnica de Catalunya, ETSEIB, Diagonal 647, 08028 Barcelona
Production economics, once dominated by efficiency factors or cost-effectiveness ratios, have been incorporating
inventory reduction, flexibility and quality improvement as additional factors. But production also has to take
account of environmental control. If a linkage of these production concepts with the methodical approaches of an
optimised production will be successful, high efficiency reserves can be activated. In this work a prospective and
perspective view is given on the systematic methodologies currently developed and the software available that
addresses the dominant current trends in the modeling, simulation and optimization of batch process industries,
which represent the fastest growing segment of the process industries.
Keywords: batch process; process simulation; process optimization
1. Introduction
It is widely recognised in the process industry,
that in order to stay profitable in today's dynamic
environment, a strategy is needed to ensure market
competitiveness and high plant productivity in
response to changing profiles of market needs,
technology and management resources. Indeed, as the
production of chemicals undergoes a continuous
specialization, to address the diversifying needs of
the market-place, the economics opportunities for
"being the firsf in the market" are extremely
attractive. In addition, the continuous evolution of
product-recipes implies a much shorter life-cycle for
a growing number of chemicals, than it has been
traditionally the case, leading to a perpetual
product/process evolution. In the presence of these
economic dictates, the rational and systematic
approach as well as the rapid execution of the chain
of tasks "Product development-process design and
engineering" have become the pivotal elements what
chemicals producers refer as their competitive edge
in the market-place (Puigjaner, 1996).
This situation has been matched, and in part
preceded by a developing research interest in batch
process systems engineering, being batch production
the most suitable way for manufacturing relatively
large numbers of low-volume, high-value-added
products commonly found in the fine chemicals
industry (Puigjaner, et al., 1994, 1996b; Puigjaner
and Espufia, 1994; Espuiia and Puigjaner, 1996;
Santos et al., 1997).
In this work a prospective and perspective view is
given on the systematic methodologies developed and
the software available that addresses the dominant
current trends in the batch process industries, which
represent the fastest growing segment of the process
There is a growing number of product grades and
brands, including an increasing number of
customer-specific, high-quality products and/or
private labels.
There exists a greater emphasis on shorter time-
to-market and more reliable process lead times.
The need for plant flexibility without losing
capital productivity because of frequent retrofits,
line set-ups and product change-overs is directly
related to the plant's economic performance and
the corporation's market share.
Stringent demands on product quality and tighter
environmental constraints lead to plant layouts
which on the surface seem more difficult to
Present answers to those production trends and to
a further insight in how these components interact
canbe summarised as follows:
The development of realistic methods and
software for the resource constrained scheduling
problem to enhance plant productivity (Huercio
et al, 1994, 1995; Graells et al., 1994, 1995,
The development of methods and tools for
energy and process integration, including the
utility system, leading to energy savings and
waste/emissions reduction (Puigjaner, 1993,
Puigjaner et al., 1996, 1997; Font et al., 1998;
Corominas et al., 1995; Wilkendorf, 1997, 1998).
The development of approaches for the
combined treatment of supervisory control,
schedule revision and plant model updating,
resulting in selectivity improvement and by-
product reduction (Delgado et al., 1996b;
Computers and Chemical Engineering Supple ment (1999) S929-S943 5930
Puigjaner and Espufia, 1998; Calderon et al.,
TIle development of procedures for systematic
solution of the best solvents in a process-wide
basis, including environmental risk, plant-site
and life-cycle evaluation (Gran et al., 1994,
1995, 1996).
The combined treatment of individual plant
scheduling, enterprise-wide allocation of
production tasks among plants, and the planning
under uncertainty (Sanmarti et al., 1995,
1996,1997) of the logistics systems linking these
plants, their customers and suppliers (Badell et
at. 1997,1998).
The recent research in these topics will be
reviewed. Modelling and simulation will pay a key
role in making those developments occur more
rapidly and achieve global process optimization in
industrial practice. Examples from industrial case
studies will be provided which demonstrate
encouraging improvements. Future directions will be
also indicated.
2. Increasing tbe model complexity of batch
When we look at the technical developments, the
market requirements, the social influences and the
effects of the general economic conditions on the
enterprises, we state that the objectives have
undergone a fundamental change, Formerly,
efficiency targets or cost-effectiveness ratios, (i. e.
Productivity) mainly were the decisive factors, and
expansion relating to quantities was the basis of the
entrepreneurial actims. More recently, inventory
reduction, flexibility and quality improvement have
come as additional factors. At present. the production
has also to integrate environmental aspects.
So far, enterprise models have been proceeding
from the approach of reducing the costs of
manufacturing news products. The production cycle
of the product was shortened. If we want to master
environmental problems in the future, we primarily
have to take care of the resources material and
energy, i. e. to utilise them to full advantage.
However, we are adding complexity to the model and
its solution may require infeasible computational
Although computing power is being a limiting
element in the development of precise batch
quantitative models, the model functionality should
bethe criterion to determine the appropriate trade-off
between cost of development and benefit obtained. A
suggested hierarchy of models can be found in Rippin
(1996); with information being fed from one stage of
the hierarchy to another as required.
While modelling environments for continuous
processes support both simulation and optimisation,
environments for batch process modeling are
specialised in two categories (Macchietto et at.1986).
Packages that allow the process engineer to create
combined discrete-event I differential algebraic
models for simulation studies: e. g. UNIBATCH
(Czulek, 1988), BATCHES (Clark et al., 1992),
gPROMS (Barton and Pantelides, 1991). On the other
side, a number of packages provide simplified models
without process dynamics for use in production
scheduling and preliminary design (GANTT-KIT
(Halasz et al., 1992), Batch Master (Cherry et al.,
1985), SUPERBATCH (Cott and Macchietto, 1989),
gBSS (Shah et al., 1992) and BatchKit (Hofmeister,
1998). No system is presently available that can
address batch design and scheduling with detailed
dynamic models.
In the next section we restrict our presentation to
recent developments in batch process operations
modeling that capture additional knowledge in the
detailed representation of batch processing systems.
3. Handling the representation of complex
The realistic and flexible description of complex
recipes has been recently improved using a flexible
modeling environment (Canton et al., 1998a) for tile
scheduling of batch chemical processes. The process
structure (individual tasks, entire subtrains or
complex structures of manufacturing activities) and
related materials (raw, intermediate or final products)
is characterised by means of a Processing Network
which describes the material balance. Accordingly,
the structure of the activities performed within each
process is represented by a general Activity Network.
Manufacturing activities are considered at three
different levels of abstraction: the Process level, the
Stage level and the Operation level.
TIlis hierarchical approach permits the
consideration of material states (subject to material
balance and precedence constraints) and temporal
states (subject to time constraints) at different levels.
At the process level, the Process and Materials
Network (PMN) provides a general description of
production structures (like synthesis and separation
processes) and materials involved, including
intermediates and recycled materials. An explicit
material balance is specified for each of the processes
in terms of a stoichiometric-like equation relating raw
materials, intermediates and final products (Fig. 1).
Each process may represent any kind of activity
necessary to transform the input materials into the
derived outputs.
Between the process level and the detailed
description of the activities involved at the operation
level, there is the Stage level. At this level is
described the block of operations to be executed in
the same equipment. Hence, at the stage level each
process is split into a set of the blocks (Fig. 2). Each
stage implies the following constraints:
The sequence of operations involved requires a
set of implicit constraints (links).
Computers and Chemical Engineering Supplement (1999) 5929-5943 5931
Fig. 4. Nodes can be connected to other nodes or
EON graph, and may be linked to operations or other
events (Fig. 4). Each event n is associated to a time
value T"and a lower bound T"mi"(1).
n '
Unit assignment is defined at this level. Thus, for
all the operations of the same stage, the same
unit assignment must bemade.
A common size factor is attributed to each stage.
This size factor summarises the contribution of
all the operations involved.
Fig. 1. PMN describing the processing of two
Operations comprise those time intervals between
events. Each operation m is represented by a box
linked with solid arrows to its associated nodes:
initial Nl; and final NF
nodes. Operations establish
the equality links between nodes (2) in terms of the
characteristic properties of each operation: the
operation time, TOP and the waiting time TW. The
operation time will depend on the amount of
materials to be processed, the unit model and product
changeover. The waiting time is the lag time between
operations which is bounded by equation (3).
Fig. 5. The time description for Operations
OS tw; STlV:;;a'
Finally, links are established between events by
precedence constraints. Each link k is represented by
a dashed arrow from its node of origin NOt to its
destiny node ND
and an associated offset time AT

The event -event links can be expressed by the

inequality constraint (4)
Fig. 6. Event to event link and associated offset time
Despite its simplicity the EON representation is
very general and flexible and it allows the handling
of complex recipes (Fig. 7). Transfer operations
between production stages are also represented by the
The Operation Ilvel contains the detailed
description . of the activities contemplated in the
network (tasks and subtasks). While implicit time
constraints (links) must be met at this level, as
indicated in Fig. 3 by the void arrows. The detailed
representation of the structure of activities defining
the different processes is called the Event Operation
Network (EON). It is also at this level that the general
utility requirements (renewable, non-renewable,
storage) are represented.
Fig. 2. Stage level. Each stage involves different unit
assignment opportunities.
Fig. 3. Operation level: operation links are shown.
The Event Operation Network representation
model describes the appropriate timing of process
operations. A continuous time representation of
process activities is made using three basic elements:
events, operations and links.
Events designate those time instants where some
change occurs. They are represented by nodes in the

Fig. 9. Simulation of a pharmaceutical plant: results
of the simulation .
5. Production scbeduling and optimization.
Fig. 8. Simulation of a pharmaceutical plant: recipe
description at the process level.
This is a clear case of a multipurpose facility
where materials follow very different paths across the
plant. Simulation results are given in Fig. 9 together
with storage profiles of intermediate materials. The
hierarchical structure of the recipe is also shown in
the input data window.
::F .i;! .1 . It JUln 1_ "
,1:-:: ':"- .' -
....- ... . - ." _ .
To obtain rigorous solutions to the problem of
optimum scheduling of multipurpose production
structures when the number of products and
production stages increases constitutes a major
challenge still today (Reklaitis, 1996, . 1998;
Grossmann, 1996.
Very recently, a novel combinatorial technique
for short term scheduling of multipurpose batch
plants has been proposed (Sanmartf et al. 1998). It
uses schedule-graph representation that offers a high
degree of flexibility and is very efficient in the
evaluation of alternative schedules.
Master recipes are represented as a directed
conjunctive graph, where the nodes represent the
production tasks and the arcs indicate the precedence
relationships among them (Fig. 10). The arc length
equals the processing time of the tasks.
Once the base schedule has been obtained, the
batch sequence in each unit is represented by
additional conjunctive arcs connecting the tasks that
Fig. 7. The recipe described as a structured set of
operations. The EONrepresentation allows the
handling of complex synthesis problems.
Other resources required for each operation
(utilities, storage, capacity, manpower, etc.) can be
also considered associated to the respective operation
and timing.
4. Plant Simulation.
Simulation of plant operation can be performed in
terms of the EON representation from the following
information contained in the process recipe and
production structure characteristics:
A sequence of production runs or jobs (Orp)
associated to a process or recipe p.
A set of assignments (Xujpr) associated to each
job and consistent with the process p tXujpr S
xujp) .
A batch size (Brp) associated to each job and
., consistent with the process p (B rp min S Brp S
A set of shifting times (Tnmtn) for all the
operatioos involved.
These decisions may be generated automatically
by using diverse procedures for the detennination of
an initial feasible solution. Hence, simulation may be
executed by solving the corresponding EON to
determine the timing of the operations and other
resources requirements.
5932 Computers and Chemical Engineering Supplement (/999) 5929-5943
corresponding TOP, according to the batch size and
material Ilowrate..The necessary time overlapping of
semicontinuous operations with batch units is also
contemplated in this representation through
appropriate links.
4.1. Applications
The EON representation has been successfully
used in a variety of industrial scenarios (fine
chemicals, polymers, food and leather industry, etc.)
involving complex recipes and high number of
products (up to 35000 products) (Puigjaner et al.
1996a). In the case of Fig. 8 a pharmaceutical plant
producing a high purity product is shown. The
compl exity of the product recipe appears at the
different set of operations that should be carried out
simultaneously in the same recipe under limited
resources (Canton, et al. 1998b).
Computers and Chemical Engineering Supplement (1999) S929-5943 5933
are carried out in the same unit in the order in which
they must be executed. Depending on which transfer
policy is used - unlimited intermediate storage (illS)
or Non Intermediate Storage (NIS)- and on the
overlapping of consecutive tasks, these additional
arcs present meaningful differences.
Fig. 10. Base graph
unit (equipment) after processing until next is
This situation is represented in the schedule graph
plot by using zero length arcs. In Fig. 13 is shown the
NIS schedule-graph that minimises makespan for the
same base case of Fig. 10, and in Fig. 14 is the
corresponding Gantt Chart
5.1. UnlimitedIntermediate Storage
Fig. 11. illS schedule that minimises the makespan of
the base case.
70 Tonz 10 o
Fig. 14. Gantt Chart corresponding to the NIS
schedule of the base case.
Fig. 13. The NIS schedules graph that minimises the
makespan of the base case.
5.3. Consecutive tasks overlapping
It is worth noting the remarkable difference
between the resulting schedules obtained in each
case, which should be taken into account to make a
realistic modelling of the scheduling of the process.
In the previous discussion no overlapping
between consecutive tasks has been. considered. This
means, that a task does not start until the preceding in
the recipe has finished. This assumption neglects the
transfer time between units, which is usually
acceptable because of the small transfer times when
compared with processing times. But, in some
instances transfer times may be significant and
substantial task overlapping may be potentiated to
enhance other production aspects (i.e. heat
integration) (Corominas et al., 1995; Font et al.,
1997). The schedule-graph representation also
accommodates to this situation and, what is more
important, without adding complexity to the model,
simply by modifying the length of somme of the arcs,
as it is shown in Fig. 15.
Hit i ' I
H2 I , ;;;. . , .
ID c::r=J CI:J
70 Tum JO 10
Although this is the most usual scenario in the
discrete manufacturing industry, this is not the case in
the chemical process industries (CPl). In the illS
graph representation, the sequence in which tasks are
executed in some unit is contemplated by connecting
these tasks with arcs of length corresponding to the
processing time of the task. This can be observed in
Fig. II, where the minimum makespan schedule to
produce the three batches of Fig. 10 is shown. The
Gantt Chart for this schedule is given in Fig. 12.
Fig. 12. Gantt chart for the illS schedule of the base
5.2. Non Intermediate Storage
The NIS transfer policy describes in a more
realistic way the chemical batch plants operation.
Here, the intermediate material is hold in the same
5.4. Determination ofthe optimal schedule based in
schedule-graph representation
The optimal schedule is found using a Branch and
Bound strategy (B&B). Each node in the B&B tree
corresponds to a partial schedule. At the root of the
tree, only the procedure constraints of each product
5934 Comput ers and Chemical Engineering Supplement (1999) S929-S9-13
Fig. 16. Merging nodes to impose tasks simultaneity.
When only partial overlapping occurs because
tasks do not start at the same time (Fig. 17), the
corresponding schedule-graph representation is
carried out by splitting the tasks in subtasks, so that
overlapping occurs at the start of one of the subtasks.
o .

recipe are applied. (i. e. The schedule-graph contains
no arcs representing task sequences in the units). As
lower bound the makespan is obtained using the
longest path algorithm based on the schedule-graph
The longest path algorithm uses the schedule-
graph representation to determine the longest path
from each node to the sink node proceeding
backwards. The path with maximal length gives the
schedule makespan and also provides the timing of
the whole schedule.
0, '
" ,
. " rr-; ,
C)ocl c ..'
Fig. 17. Partial task overlapping.
0 , ,
Fig. 18. Heat integration graph for the case of Fig. 17.
Fig. 19. Acyclic and cyclic graphs
6.1. Unfeasible task overlapping
Task overlapping may become unfeasible when:
a) the tasks belong to the same batch; b) the tasks are
carried outin the same unit. The first case can easily
be avoided, because this information is known
"apriori" and the corresponding hot-cold streams can
be removed in the preliminary ennumemtion. The
second case requires unit task assignment decisions
when alternate units are considered to perform the
same task. The solution to this problem is equivalent
to find feasible schedules.
Feasible schedules can be identified by examining
its associated graph and checking that it is acyclic
(Fig. 19). When the arcs connecting the tasks form a
loop, the resulting partial schedule is infeasible. In
Fig.20 is shown that when two tasks that belong to
the same unit sequence are merged into a single node,
a loops is always generated.
Fig. 15. Schedule-graph representation of consecutive
tasks overlapping.
Then, the tasks assigned to the different units are
sequenced one by one. Each time a task is sequenced
a branch is generated in the tree and the longest path
algorithm is applied again. When the tree reaches the
bottom, a complete schedule has been obtained and
an upper bound of the makespan canbe calculated.
Each time that the lower bound of the partial
schedule of the node is greater than the current upper
bound, or when the partial schedule is not acyclic (i.
e. it is infeasible), the branch that starts in the node is
This way, highly efficient graph algorithms are
incorporated to Branch and Bound optimisation
techniques to solve multipurpose schedule problems
very effectively. The B&B algorithm takes care of
the combinatorial optimization problem involved in
each scheduling problem, while the graph algorithms
allow a fast computing of the lower bounds that
control the branching strategy (Sanmarti et al.,
6. Heat Integration andscheduleoptimization
In order that two process streams may exchange
heat, they should coincide in time. This necessary
overlapping imposes and additional constraint to the
scheduling problem. The schedule-graph
representation can easily incorporate these additional
constraints by merging the nodes corresponding to
the tasks requiring overlapping into a single node.
This situation appears in Fig. 16, where tasks A8 and
BI are constrained to start at the same time. Then a
new node (AlIBI) is included now in the sequence of
two units (EI and E2).
Computers and Chemical Engineering Supplement (/999) S929-5943 5935
Fig. 22. Hot-cold streams combination tree
PI. P2 and P3 a:eacd...
situation, where some of the stream pairs are active
and the rest are inactive. This can be modelled using
a binary variable that takes value one when the pairs
are active and zero otherwise.
For example, if there are three possible hot-cold
pairs PI, P2 and P3, the possible combinations are
indicated in Fig. 22.
WI ~
R.- .......... .. ..
Fig. 20. Overlapping of two tasks in the same unit.
Usually, it will not be possible to get all possible
overlapping between hot-cold stream pairs. First of
all, because of the assumption that a stream cannot be
included in more than one selected pair. Secondly,
because forcing task overlapping can generate
alternate solutions which are not all compatible in the
same schedule. Decision-making optimisation will be
necessary (Fig. 21).
Fig. 21. Task sequencing determines heat integration
6.2. Heat integration and schedule optimization
The schedule global optimization (makespan
minimization) and heat integration (energy use
minimization) requires and overall objective function
of the type:
For both objective functions, the optimization
procedure is very similar. It considers two embedded
branch-and-bound algorithms: one for the heat
integration and the other for the schedule
optimization. The heat integration B&B tree contains
all hot-cold stream pair feasible combinations. Each
node in the tree corresponds to a heat integration
7. Simultaneous energy andwater minimization
Modeling the water management in the process
industries has gained considerable attention in these
last years (Wang and Smith, 1994; Dhole et al.,
1996). The consequences of water management in the
batch processes are of special importance in sectors
like the food industry. The total water demand of
these industries can be categorised in three groups:
process, cleaning and utility water (Almato, et al.
Process water requirements depend mainly on the
characteristics of each production process. Equipment
cleaning and set-up are water intensive operations. In
order to prevent product contamination, these tasks
arc often carried out using water streams at different
temperatures and flowrates. The wastewater
generated during cleaning tasks may represent a
considerable part of the total waste water originated
in the plant. Finally, the water used in the utility
systems, essentially for cooling and beating, may also
constitute a significant fraction of the total water
Each node in the tree implies a set of heat
integration constraints. The schedule that minimises
makespan subject to these constraints is obtained in
this way. If no possible schedule satisfying these
constraints can be generated. the hot-cold pair
combination is discarded, as well as all other
combinations generated from this point of the free
(the branch is cut).
The optimal schedule calculation described before
is used to find the makespan lower bound. while the
energy use lower bound can be obtained solving the
MIP problem formulated above (Equations (6) and
(7, taking into account which hot-cold stream pairs
are fixed (active or inactive) and which are free
(Sanmartf et al., 1998 b).
z ;::: o.MS+pTEU
S ~
subject to
Where MS is the masespan, TEU the total energy
consumption and c, pare weight coefficients. The
fine tuning of (l and Pshould be done for each
industrial scenario according to the relative
preponderance of productivity vs. energy in each
case. In practice, only if there is remaining idle time
after production objectives are satisfied that a
decrease in productivity will be tolerated to enhance
energy integration.
When a minimum productivity of the plant must
be obtained, the objective function is reduced to find
the minimum energy consumption under the
constraint of keeping the makespan below some time
horizon, that is
5936 Computers and Chemical Engineering Supplement (1999) S929-S943
Water is used at different temperatures in
different processes steps and at different times. In
time-dependent process, water requirements and
wastewater generationsare closely tied to the specific
productioosequenceand task schedule (Almat6et al.,
1997). For this reason, a rust step for the water
management modeling is the plant production
planning and task scheduling. ParalIel to the
production Gantt Chart, a Stream Chart can be
defined where water streams are represented either as
water requirements (i. e. operation's inlet water
stream) or as water generations (i. e. operation's
outlet water stream) in a concentration vs. time plot
(Fig. 23). Once the Stream Chart is built, water
streams can be completely characterised by their
flowrate, supply and target temperature, contaminant
concentrationupper boundand operationtime.
5 10 5
20 h
whereas direct mixing can only be used for water
streams when contamination constraintsare satisfied.
The freshwater use, waste water generation and the
energy associated to water depend 00 the assignment
between water streams and tanks. Depending on its
contaminatioo level, every water stream generated is
stored in a specific tank. A requirement can be
supplied by a tank when the contaminant
concentrationof this tank is lower than the maximum
permitted by the requirement Operations requiring
high purity water will possiblybe supplied using only
freshwater, while some generated streams at high
contaminant levels may be directly sent to the end-of-
pipe water treatment system. Every time that a stream
enters a tank or is supplied by it, the tank level,
contaminant concentration and temperature may
change. The general overview for the water
management model appears in Fig. 25 (Almat6et al.,
0 '-- _
5 ... ... .
5 10
15 20 h
Fig. 23. ProductionGantt Chart and its corresponding
StreamGantt Chart
7.1. Water and energy use reduction
Because of the time dependence of the streams,
direct reuse of water will ooly be possible if both
streams operate simultaneously and satisfy the
contaminant concentration and temperature
constraints. Therefore the water management model
considers the use of storage tanks for spent water to
increase the reuse opportunities between operations.
These tanks store spent water and supply it for reuse
to other sections of the plant, which implies a certain
potential for water reuse and energy recovery by
means of streams direct mixing. Additionally,
regeneratioo units for waste water effluents can be
used to reduce their contaminationload (Fig. 24).
Energy recovery in water streams can beobtained
by means of either heat exchangers or direct streams
mixing. Heat exchange between hot and cold streams
can take place among water and non-water streams,
Fig. 24. Water use reduction opportunities: (a) Direct
water reuse; (b) use of water tanks.
Fig. 25. Water management model overall structure.
A key issue in the modelingprocedureis the tank-
streamassignment problem. The decision variableX
is used to describe the fraction of water stream
Ilowrate s assigned to tank d. Two fictitious tanks are
considered: one contains the freshwater source (d;O),
and the other the wastewater for disposal (d=D+l).
For a given production plan, the total freshwater
Plant management and scheduling control,
including planning, scheduling and plant wide
Subplant co-ordination between major
production areas, including local schedule
adjustments and recipe modifications;
Switching and supervisory control of process
units, including appropriate handling of

Modeling batch processes may become very

complex when it comes to the level of details
required to adequately represent real-life operations,
and very difficult to standardise if it involves a very
wide variety of operations, as happens to be the case
of the batch industries. Also, a major limitation of
present solutions is that they do not adequately reflect
the distributed nature of the problem (Puigjaner et al.,
1994) in terms of organization and production units
(plants, production departments, lines, batch units).
As a consequence, internal disturbances occurring at
any level of this organitazional context or external
perturbations caused by the market environment may
create frequent and irrecoverable readjustments in
real-life industrial operations (Pekny et al., 1991). A
realistic answer to this situation inevitably entails
appropriate consideration of the interaction between
various planning levels linked to the batch control
8. Real-time optimization models
The global cost of the water management includes
also the investment and operation cost of the water
reuse network.
Fig. 26. Water reuse network: FW = freshwater, DW
= wastewater disposal, T
= water storage tank.
The objective function considers the total costs
associated to water use during the production period
considered. These costs include the cost associated to
freshwater supply and conditioning P
, waste water
treatment and disposal P"', and the energy consumed
for heating Ph and cooling P, water streams. The
costs are related to the volume of water WVj. WV", or
the utility consumption U", U;
Computers and Chemical Engineering Supplement (1999) S929-5943 S937
demand and wastewater generation can be the initial design are necessary to contemplate the
determined from the tank filling level profiles of the optimal global water reuse network.
two fictitious tanks. The assignment procedure allows
the design of the water reuse network by defining the
connections between tanks and equipment units and
identifying the flowrate at each connection (Fig. 26).
where the investment INV contemplates the cost of
tanks and connecting network and the operation OP
considers the running cost of assignments made.
The model is subjected to constraints related to:
Assignment, Tank filling level, Tank contaminant
concentration, Stream concentration, Tank
temperature profile, Stream temperature, and Hot and
Cold utilities consumption.
The resulting model is MINLP. To alleviate the
solution procedure, the model is reformulated
discretizing the time horizon in time intervals. An
interval is defined between two events. An event
takes place every time that a water stream starts of
finishes to operate. At each time interval, the mass
and heat balance for each tank and stream involved is
solved as a differential equation to find the values of
tank levels and concentrations and the temperature of
tanks and streams.
Considering that in the batch industries certain
product campaigns are processed periodically, the
water reuse network should be designed for the most
significant production plan. For other plans,
assignments should be optimized. Modificatices to
OF] = OF! +INV+ OP (9)
Individual equipment regulatory and fault
diagnosis actions.
All these levels should operate on a real time
process information base which must be supported
with data reconciliation and trend tracking
capabilities (Pekny et al., 1991; Puigjaner et al.,
8.1. Processco-ordination andsupervisory control
Traditionally, process supervisory control worked
under the assumption of that processing times of
elementary subtasks were accurate approximations of
real executions, whereas time information used by
planning and scheduling actions was frequently an
average estimation.
As a realistic solution to these shortcomings,
batch process supervisory control must not only deal
with the co-ordination of plan execution, but also
capable of promising and analysing the deviations in
processing time and other data expected in order to:
Avoid undesired bottlenecks in plan execution
and management;
Readjust schedules to current values under the
permissible limits and task transfer policies;
5938 Computers and Chemical Engineering Supplement (1999) S929-S943
Provide information to a fault diagnosis system
to be used in recipe modification and adaptation
of planned schedules as well (Graells et al.,
Predict equipment malfunction and optimize a
preventive maintenance system (Sanmartf,
A process fault detection and diagnosis system for
the complex case of plant-wide control has been
recently proposed (Nougues and Puigjaner, 1996;
Ruiz et al., 1998). It considers an artificial neural
network (ANN}-based supplement of a fuzzy system
in a block oriented configuration (Fig. 27). Ml is the
subset of the direct and indirect measurements and/or
observations from the plant, which is selected as
input to the ANN structures.
system, and the information network providing real-
time data which involves long term operation,
laboratory data, planning and scheduling (Nougues et
Fig. 28. Real-time platform architecture
This system is being currently implemented at a
laboratory scale fluidized bed gasifier plant where the
plant performance is optimized in terms of energy
and gas quality. Industrial applications include a
sugar refinery and concentrated juice manufacturing
(Sabadi et al, 1998).
Inference enginel------- ......
Set of rules Defuzzification
Fig. 27. ANN-based supplement of a fuzzy system in
a block oriented configuration.
The system proposed combines the adaptive
learning diagnostic procedure of the ANN and the
transparent deep knowledge representation of a
structured form of knowledge base system (ICBES). It
has been successfully used to handle simultaneous
faults in complex plants with recycle (Nougues et al.
8.2. Real-time systems optimization
An integrated platform has been created that
incorporates optimization and production planning
techniques in conjunction with real time plant
measurements and control aiming at product quality
enhancement and waste reduction (Nougues et al.,
1998; Puigjaner et al. 1998).
The system architecture has three layers. The first
is a supervisory control level which incorporates
techniques for diagnosis indicated before (Ruiz et al.,
1998). The second is the co-ordination level which
provides real-time informatioo for decision-making at
upper levels. The third level involves decisions on
allocating the available resources under the various
products under demand (Fig. 28).
The whole system exchanges information in two
ways, by the communications network system, and
by the database management system (RDBMS). The
communications network system incorporates a local
control network supported by distributed control
system vendors (DCS), a control network consisting
in a real-time client interface and advance control
9. EnterpriseResource PlanningModel
The consideration of financial and production
planning as an entire unbroken process appears to be
the key that closes the loop of the business regulation
cycle (Badell and Puigjaner, 1998a; Badell and
Puigjaner, 1998b). Present Distributed Artificial
Intelligence tools can simulate the management
control of the entire enterprise combining material,
human and financial resources within a flexible
object-oriented environment.
In order to integrate the activities of management,
process control and production, a new Enterprise
Resource Planning (ERP) approach hasbeen recently
proposed (Badell et al., 1998). The system considers
two basic economic times: the budget assignment and
financiaVproduction performance including the
economic execution (Fig. 29).
The two-layered model consists in the real time
production layer model and the autonomous order
entry layer model which is backed-up with a replica
of the real time schedule and a non-interactive
scheduling program managed by a multi-agent
system. The arriving orders are attached at the end
creating a new virtual plan. The autooomous upper
level system can be accessed through the Web or
through the business level, which provides a quick
feedback/response to the requested orders. Under
blackboard architecture a knowledge-based model
updated with the daily events supports the rule-based
priority system for the determination of customer
priorities. This two layer architecture allows the
vertical integration of the enterprise systems.
I " I I
:... ,
! i I
I . I
, '. I I I
.. :- _ _._ _ '-
[,., t
i::' I I t,
I _ . I
r...: l. tI
I ' M i
. .. . . . .. - .. '. .. ,. . .. .. - . . . -:::.. 1
Fig. 29. The ERP conceptual approach
The.proposed ERP system demand real time data
management (Badell et at, 1997) on the state of the
process, the situation of payments and billings, the
finance, the production accounting, the inventory and
the market The flow control between the
management functions is guided by the global
planning objectives.
9.1. Financial scheduling model
Fig. 30. On-line cashflow profile, and minimum
level , process profit profile and brcakevenline.
Whole industry demands for communication
solutions that will bring together process control,
scheduling and management systems, this approach
goes further by offering a real link on functional
levels between production, MRP, marketing and
financial management in ERP systems.
The necessary relationship between production
and financial planning requires a common framework
for appropriate decision-making. The EON
representation (Canton et al, 1998) has been extended
to consider cash-flow representation. In the EON
context, additional non-manufacturing processes can
betreated as well. In this case, commercial operations
are simulated using virtual process units.
The safety stock of net cash-flow can be
calculated as any other form of inventory, The
minimum cash balance corresponds closely with the
reorder point by economical order quantity (EOQ). A
fictitious liquidity stream limited by an inviolable
restriction of minimum cash connects and regulates
the inventory-production-marketing chain. An
enhanced concept of recipe that includes cashflow
can be represented in a Money Gantt Chart that
integrates the production schedule (Badell and
Puigjaner, 1997) . The process economics can be
drawn including the net cashflow profile, the level of
minimum stock and the process profit profile with the
breakeven line (Fig. 30).
This new approach to ERP systems avoids the re-
planning activities of MRP-based systems at the
different enterprise hierarchical levels. It turns upside
down traditional concepts of: first materials, second
production and then fmancial planning. Here, the
procedure is initiated with money, then
simultaneously production and materials. Money
representation avoids the "blind" financial decision-
making usually present in the current practice. The
consideration of liquidity as a strategical variable
creates a partnership relationship between production
and fmance.
10. Supporting software and applications
Although the developments described before bave
commenced essentially as an academic exercise, most
of them are the result of collaborative research
projects with the industry. Therefore, both prototypes
and commercial software is already available
supporting the models described (MOPP, BOLD,
11. Final considerations
In his exceUent review of the state-of-the-art in
batch processes, Professor Rippin sensed a widening
gap in process simulation and optimization between
batch and continuous production systems and
declared the current situation in batch processes as
"filling in the boles". This was in the year 1992.
Now, seven years later, what we contemplate is the
batch problems and solutions situated at the same
level as in continuous processes, even with a higher
degree of innovation on the batch side. This scenario
bas facilitated an integrated and more realistic view
of the chemical manufacturing process as a
conglomerate of continuous, semiconlinuous and
batch operations that share common problems that
require unified solution proposals. Extended
modeling frameworks should contemplate continuous
and time dependent processes, extensive usc of
dynamic models for real time optimization, improved
ERP systems and the use of networked
manufacturing information systems. These are some
of the common challenges we are already facing. We
Computers and Chemical Engineering Supplement (/999) S929-S943 5940
believe that
further progress should go in this References
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Balchsizeof job r following processp
Maximum batch size of job r following
Minimum batch size of job r following
Inversion cost of the waterreuse network
Operation cost of the waterreuse network
Binary variable for the assignment of
processp tojob r
Unit cost of cold utility
Unit cost of freshwater
Unit cost of hot utility
Unit cost of wastewater
Absolutetimerelated to node11
Lower boundfor time of node11
Time of destinynode of linkk
Time of final node of operation m
Time of initial node of operation111
Operation timefor operation 111
Waitingtime for operation 111
Maximum waitingtime for operation 111
Cold utilityconsumption
Hot utilityconsumption
Volumeof freshwater
Volumeof wastewaterfor disposal
Binary variable for the assignment of unit u
to stagej of processp injob r
Binaryparameterallowingthe assignmentof
unit u to stagej of processp injob r
B min
Financial support from the European Community
is gratefully acknowledged (projects JOE3-Cf95-
0036 and ECSC N" 7220-ED-081). This work has
been also sponsored by the Generalitat de Catalunya
(Projects CERTAP N" 10303 and QFN95-4301).
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