The Dow Chemical Project:

Creating a Web-Based
Interface to a Dynamic
Simulation
K. KURIYAN, W. MUENCH, G. V. REKLAITIS
School of Chemical Engineering, Purdue University, West Lafayette, Indiana 47907

Received 24 May 2004; accepted 5 March 2005

ABSTRACT: In this study we present a Web-based interface to a dynamic simulation. The

simulation is based on an emulsion polymerization process operated by the Dow Chemical
Company. We also describe the software architecture that allows simulation updates to be
transmitted dynamically across a network, from a server-based simulation to a Web-based
client. ß 2005 Wiley Periodicals, Inc. Comput Appl Eng Educ 13: 250
256, 2005; Published online in Wiley
InterScience (www.interscience.wiley.com); DOI 10.1002/cae.20049

Keywords: Java; distributed objects; dynamic simulation; emulsion polymerization

BACKGROUND interface to a steady-state simulation of an industrial

A series of computer modules has been under
development at Purdue University [1]. These modules
combine a detailed simulation based on an actual
industrial process with a videotaped ‘‘plant tour.’’ With
the growing use of the World Wide Web in education, it
has become necessary to provide a Web-based inter-
face to our modules, which were originally designed to
run on UNIX workstations. In earlier studies we have
described a multimedia framework implemented in
Java [2], and techniques for creating a Web-based
Correspondence to K. Kuriyan (kuriyan@ecn.purdue.edu).
Contract grant sponsors: ITaP (Information Technology at
Purdue; School of Chemical Engineering at Purdue.
ß 2005 Wiley Periodicals Inc.
chemical process [3]. In this study we present a Web-
based interface to a dynamic simulation of an emulsion
polymerization reactor [4]. We also describe enhance-
ments to the Java framework, which allow a student to
monitor a reaction simulation as it runs on a server
while dynamic updates of the reactor state are being
delivered across the network.
EMULSION POLYMERIZATION PROJECT
For the reader’s convenience, we will briefly recapitu-
late the design of the emulsion polymerization module
[4]. Students can use the module to study reaction
kinetics and heat transfer in the production of styrene-
butadiene latexes. A latex is an emulsion of polymer
particles in water. Latexes are normally manufactured

250

by emulsion polymerization, a heterogeneous process
in which a sparingly soluble monomer is dispersed in
water as fine droplets. Emulsifiers are added to stabi-
lize the monomer droplets, and water-soluble initiators
are used to initiate the polymerization in the aqueous
phase. The reaction proceeds in three intervals res-
pectively characterized by particle nucleation, growth
of polymer particles, and cessation of polymerization
due to depletion of monomer. Polymer molecules grow
as a result of propagation reactions with monomer
molecules or other polymer chains. Chain transfer
reactions, on the other hand, terminate one chain and
initiate the growth of a new chain. The molecular
weight and other important properties of the final
product are determined by the interplay of the different
types of reactions.
Latexes are used in diverse products ranging from
acrylic paints and paper coatings to carpet backings.
Typically, a wide range of polymers with considerable
variation in the styrene/butadiene ratio, chain transfer
agent, and surfactant type are manufactured in a single
plant. Consequently, the process is operated in a batch
rather than continuous fashion. The simulation mo-
dule allows the student to study how the initial
Figure 1 Background video.
THE DOW CHEMICAL PROJECT 251
concentrations of key ingredients such as the mono-
mers and chain transfer agent, and other factors such
as heat transfer through the reactor jacket, affect the
polymerization reaction dynamics. Specifically, stu-
dents can perform the following exercises:
*
Conduct simulated experiments of a 2-gallon
batch polymerization to obtain propagation and
chain transfer reaction rate constants.
*
Study heat transfer requirements in a 10,000-
gallon semi-batch scale-up.
SIMULATION INTERFACE
Background Video-Clips
Students can use the integrated streaming video player
(Fig. 1) to review background information covering the
different reaction phases in the emulsion polymeriza-
tion process. Clips showing the actual equipment used
in laboratory experiments and in a production plant are
also available. Plant personnel featured in the videos
have been asked to emphasize safety and environ-
mental considerations in their presentations.
 Figure 2 Reactor input.

Figure 3 Bench scale experiment.

 THE DOW CHEMICAL PROJECT 253

Bench Scale Experiments are additional input parameters allowing the student to
specify the inlet temperature of the liquid in the reactor
The user interface is initially configured for entering
jacket and the available heat transfer area. Students can
the initial conditions including the reactor temperature,
run simulations to determine if there is sufficient heat
monomer volumes, and the concentration of the chain
transfer capability to maintain the reactor within
transfer agent (Fig. 2). Once the input conditions have
specified temperature limits while achieving the desired
been validated the user interface is reconfigured to
conversion. If this proves infeasible at the selected
bring up the output panels for plotting the reactor state
(Fig. 3). A set of buttons along the top allows
the student to start, pause, and stop the simulation.
The validated input data is sent over to the server to
initiate the simulation. Dynamic updates of the reactor
state are displayed in the graphical plots below the
buttons as the simulation runs on the server. The top
row contains plots for the reactor temperature, reaction
conversion, and styrene concentration. The bottom row
contains plots for the butadiene concentration, chain
transfer agent concentration, and average molecular
weight for the polymer (both number averaged and
weight averaged values are shown). Students can
make runs to determine the kinetic constants for
propagation and chain transfer. They can also study
phenomena such as gel formation, which occurs when
depletion of the chain transfer agent causes the
molecular weight to increase rapidly and uncontrol-
lably (Fig. 4).

Production Reactor
The user interface for the 10,000-gallon production
reactor is similar to that of the bench scale reactor. There

Figure 5 (a) Production run with extra heat-transfer

area. (b) Production run with refrigerated cooling
Figure 4 Gel formation. water.
254 KURIYAN, MUENCH, AND REKLAITIS
Figure 6 Account creation.
operating temperature, they can modify the reactor
design to try and achieve the specified goals. The two
sample runs respectively demonstrate the use of extra
heat transfer area and refrigerated cooling water in
maintaining the reactor temperature within the specified
limits (Fig. 5a,b).
INSTRUCTOR INTERFACE
Account Creation
An instructor can use the Web-based interface to
perform a variety of functions related to creating,
maintaining, and monitoring student accounts [3].
When setting up a new account the instructor specifies
an account name and password, and selects values for
the kinetic constants for the propagation and chain
transfer reactions (Fig. 6). The values for the kinetic
constants are stored on the server and are not visible
to students who must design a set of experiments
to estimate them. Randomly generated variations may
be added to experimental measurements reported
to students. The instructor can specify the level of
noise in these measurements through the Web-based
interface.
WEB-BASED ARCHITECTURE
The emulsion polymerization module uses a two-way
client-server architecture (Fig. 7). This architecture is
built on the Java language framework described in
References [2,3] with enhancements to support dyn-
amic simulations. Java is an object-oriented program-
ming language which allows complex simulations to be
built from simpler components using object-oriented
development methods such as composition and gen-
eralization [5
7]. The framework provides a simple
password-based authentication scheme and a graphical
user interface, which can incorporate multi-media
elements such as streaming video clips. A network
CLIENT SERVER
User Interface Monitor
Simulation
Receiver Updater
Figure 7 Two-way client-server architecture.

connection is established between the client and a
server-based simulation for transferring input data and
experimental results. The client and server commu-
nicate with each other by using the Java-based remote
method invocation (RMI) framework [8].
To enable dynamic updates, we have extended the
basic framework to allow two-way communications
between the client and server while a simulation is
running. The server incorporates an updater object,
which transmits results back to a receiver object within
the client. The extended framework exploits the ability
to have multiple threads of execution within a single
Java program [9]. The client establishes a connection to
the server and transmits the initial conditions for the
simulation. The simulation is initiated in a separate
thread while a monitor thread listens for simulation
control commands from the client. Similarly, the client
program incorporates two separate threads—one
listens for user commands, while the other plots
updates received from the server. After the completion
of an integration sequence, the simulation thread sends
an update to the client and then checks to see if any
control commands have been received from the client.
If a Pause command has been received from the client,
the simulation thread will be suspended until a
subsequent Continue command is received. Execution
of the simulation thread is terminated when the time
limit for the simulation is reached or if a Stop
command has been received.
COMMENTS
Distributed Objects
We have used the Java-based RMI framework to
connect the client and server objects of our modules.
RMI allows Java objects on one machine to invoke
methods on a Java object residing on a different
BIOGRAPHIES
Kamal Kuriyan is a research associate in
the School of Chemical Engineering, Purdue
University. Current projects involve the
modeling, simulation, and visualization of
pharmaceutical manufacturing processes.
Other interests include the development of
enhanced learning environments that encom-
pass conventional course tools, virtual
laboratories, database access, and collabora-
tive design. He has also been involved in the development of Web-
based meeting programming applications for AIChE.
THE DOW CHEMICAL PROJECT 255
machine using a simple syntax which is similar to that
used for an ordinary method invocation. Alternative
frameworks such as the common object request broker
architecture (CORBA) may be used to connect Java
programs with objects written in other object-oriented
languages such as Cþþ or Smalltalk [10].
REFERENCES
[1] R. G. Squires, P. K. Andersen, G. V. Reklaitis, S.
Jayakumar, and D. S. Carmichael, Multi-media based
education applications of computer simulations of
chemical engineering processes, Comput Appl Eng
Educ 1 (1992), 25
32.
[2] K. Kuriyan, R. G. Squires, G. V. Reklaitis, B. Morrato,
and R. Gutwein, The Procter and Gamble decaffeina-
tion project. II. Implementing a multimedia instruction
module in Java, Comput Appl Eng Educ 7 (1999),
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[3] K. Kuriyan, W. Muench, and G. V. Reklaitis, Air
Products hydrogen liquefaction project
Building a
Web-based simulation of an industrial process, Com-
put Appl Engng Educ 9 (2001), 180
191.
[4] S. Jayakumar, R. G. Squires, G. V. Reklaitis, P. K.
Andersen, and B. K. Dietrich, The Purdue-Dow
styrene-butadiene polymerization simulation, J Eng
Educ 84 (1995), 271
277.
[5] J. Martin and J. Odell, Object-oriented methods: A
foundation, Prentice Hall, NJ, 1995.
[6] K. Arnold, J. Gosling, and D. Holmes, The
Java programming language, Addison-Wesley, Boston,
2000.
[7] D. Flanagan, Java in a nutshell, 4th edn, O’Reilly &
Associates, Sebastopol, CA, 2002.
[8] W. Grosso, Java RMI, O’Reilly & Associates,
Sebastopol, CA, 2001.
[9] S. Oaks, H. Wong, Java threads, O’Reilly & Associ-
ates, Sebastopol, CA, 1999.
[10] R. Orfali and D. Harkey, Client/server programming
with Java and CORBA, John Wiley, New York, 1998.
Wayne Muench has been director of under-
graduate laboratories in the Department of
Chemical Engineering since 1995, and has
over 20 years of industrial experience,
including management of significant bench
and pilot scale product and process develop-
ment projects. He also has extensive experi-
ence in R&D safety programs and has been
responsible for strengthening and revitaliz-
ing the laboratory component of the instructional program in
chemical engineering.
256 KURIYAN, MUENCH, AND REKLAITIS

G. V. Rex Reklaitis is Comings Professor of

ChE at Purdue University. Reklaitis is
BSChE graduate of the Illinois Institute of
Technology and received his PhD from
Stanford University. His technical interests
involve application of computing and sys-
tems methodologies to the design and opera-
tion of processing systems. He is recipient of
several national awards, including the
AICHE Computing in Chemical Engineering Award and ASEE
ChE Lectureship. He is editor-in-chief of Computers & Chemical
Engineering. Active in AICHE, he has served on the board of
directors, as 2002 annual meeting chair, and publications committee
chair, and he is currently on the executive committee of the National
Program Committee.