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Chemical Engineering Science 54 (1999) 1601—1620

Process and product engineering — achievements, present


and future challenges
K. Wintermantel*
BASF Aktiengesellschaft, 67056 Ludwigshafen, Germany

Abstract

In this paper, present and future challenges faced by chemical engineers are discussed. To place the development of this discipline in
its industrial and social context, a short history of chemical engineering in one of the major global chemical companies (BASF) is
given. The ‘scientific part’ of chemical engineering consists in breaking down real complex systems into subsystems, which are then
described using our understanding of fundamental chemical and physical processes. The ‘engineering part’ of chemical engineering
consists in using this new found knowledge in the design and construction of a working plant which is capable of producing the
desired product, even if our understanding of the single subsystems is today incomplete. From the components that make up our
discipline, process engineering has in the last several decades attained a high degree of scientific maturity. Further developments are
needed and expected in the improved description of fundamental chemical and physical processes necessary particularly to model
reaction systems. The other field, product engineering, is a younger, less mature area where the scientific elucidation of the
structure/property relationship at molecular and microscopic levels first needs to be tackled. This knowledge is required to model
disperse systems so as to design products and develop appropriate production facilities. Improving the design and evaluation of
complex systems for the production of real products will require further research into methodologies, tools and strategies. Firstly,
these improvements will enable us to combine various unit operations so as to obtain an optimal overall process within an optimally
designed production plant. And secondly, this individual production plant should in turn be optimally integrated into the entire
production site. Such procedures must take into account both the requirements of customers as well as environmental concerns. The
challenges faced by the chemical engineering community can only be met if two preconditions are fulfilled: both organisations
carrying out basic research and R&D departments focussed on applied research within companies must be at the cutting edge of
technology. And furthermore, they must work even more closely together if we are to meet the challenges described in this paper. It is
also essential that young engineers and scientists as part of their education should be integrated into this research effort and become
fully committed to it.  1999 Elsevier Science Ltd. All rights reserved.

1. Introduction engineering as a result of both advances in theory and


applied research. My view is shaped on the one hand by
I consider it to be a great honour to have been invited the experiences and responsibilities I have as head of
to give the Danckwerts Memorial Lecture 1998. Very chemical engineering research and development at a
much in P. V. Danckwerts tradition, I see it as my task major chemical company and on the other hand by my
today to take a step back and take a look at how experience as a visiting professor at the University of
chemical engineering as a discipline has developed. This Stuttgart. In particular I would like to highlight the
may help us to see more clearly what direction we need to mutual benefits that universities and R&D departments
go in the future to ensure our continuing success in within companies have been enjoying through their his-
meeting the challenges that will face us. tory of close co-operation.
I would like to focus on the interactions between I will do this by first taking a brief look at the history of
industrial requirements and the development of chemical BASF company. History makes it clear that chemical
engineering as a scientific discipline developed in large
part as a response to market forces — to meeting society’s
* Tel.: 00 49 621 60 43754; fax: 00 49 621 60 21050; e-mail: klaus. needs. I will try to show how the body of knowledge
wintermantel@basf-ag.de. developed over all these years in a dialogue between

0009-2509/99/$ — see front matter  1999 Elsevier Science Ltd. All rights reserved.
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1602 K. Wintermantel/Chemical Engineering Science 54 (1999) 1601—1620

universities and industry has been used to help meet 2. Historical review
these needs. And I am convinced that the way chemical
engineers have ‘‘structured’’ this knowledge has put us in The enormous increase in chemical industry’s product
a good position to cope with future challenges too. I will range and production volumes in the last century resulted
then talk about the changes, which chemical engineering in a series of challenges that chemical engineering has
has to deal with now and in the near future. Finally, had to meet. I would like to take a look back at the
I would like to draw some conclusions for ongoing re- chemical engineering milestones in the history of BASF
search as well as the educational needs for future chem- (Figs. 1 and 14) to identify which factors led to past
ical engineers. success and may be keys to continuing success in the
future for the process industry as a whole (Wintermantel,
1997).
BASF was founded in 1865 and its first products were
the synthetic dyes fuchsia and alizarin. The company was
founded with the aim of not only producing the dyes
themselves, but of developing a company with a high
degree of vertical integration. We started with raw mater-
ials and auxiliaries in order to produce precursors and
intermediates, which then enabled us to produce the
finished products required by the customer. In those
days, the intermediates included aniline and soda, which
gave rise to the company name Badische Anilin- und
Sodafabrik (which means ‘Baden aniline and soda
factory’). The basic idea and aim was thus to create
an integrated production — in other words, a complete
system.
Fig. 1. Growth in BASF sales and challenges to chemical engineering As a result of these ambitious aims, BASF had already
1865—1940. grown to a considerable size by 1866 (Fig. 2). It continued

Fig. 2. BASF Ludwigshafen site in 1866.


K. Wintermantel/Chemical Engineering Science 54 (1999) 1601—1620 1603

Fig. 3. BASF Ludwigshafen site in 1901.

Fig. 4. Distillation apparatus used in 1865.


1604 K. Wintermantel/Chemical Engineering Science 54 (1999) 1601—1620

Fig. 5. Reconstruction of Prof. Habers experimental setup for the ammonia synthesis.

to grow rapidly in subsequent years, as shown in a would be able to replace the expensive and unreliable
picture from 1901 (Fig. 3). saltpetre imports from Chile. One vision at this time
A characteristic of this early period was that the pro- was to make use of nitrogen in the air and to produce
cesses were largely carried out at atmospheric pressure, in a first step ammonia from hydrogen and atmos-
sometimes in open vessels, and at moderate temper- pheric nitrogen. Many research scientists were trying to
atures. The large pieces of equipment were mostly copies develop such a synthesis route for the production of
of equipment found in laboratories, but made of steel and ammonia.
brick instead of glass because of their size. Output was In 1908, Fritz Haber in his institute at the Technical
increased by installing parallel equipment, as can be seen University of Karlsruhe succeeded in synthesising am-
in Fig. 4, which shows the dimethylaniline distillation monia using a catalytic high-pressure process. He offered
plant in 1865. At the end of the last century, the handling to sell the rights to this process to BASF, which would
of large amounts of gas presented a new challenge. This then try to develop an industrial scale production process
challenge had to be overcome before sulphuric acid for ammonia (Fig. 5). In contrast to other techniques
using the contact process and synthetic indigo could be which had been proposed, the process developed by
produced. Haber held out promise of producing satisfactory yields.
A milestone in the company’s history at the beginning However, to apply pressures of more than 200 bar and
of this century was the ability to synthesise ammonia, temperatures of 500°C in a large reactor was not tech-
produce it in large quantities, and use it as an intermedi- nically feasible at that time. Carl Bosch solved this diffi-
ate for the production of many downstream products cult problem by developing a high-pressure reactor,
(von Nagel, 1991). Research chemists at this time were which was capable of withstanding such extreme
looking for ways to increase food production through conditions (Fig. 6). Intensive scientific efforts involving
the use of synthetic fertiliser in order to feed Europe’s many individual steps were necessary to take this
growing population. They were searching for a synthetic product idea all the way from the laboratory stage
fertiliser containing chemically bonded nitrogen, which to full-scale production. In 1913 the first large-scale
K. Wintermantel/Chemical Engineering Science 54 (1999) 1601—1620 1605

an integrated production system. Many basic chemical


products have a comparable ‘innovation curve’ within
their product life cycle, for example methanol and for-
maldehyde.
The example of ammonia can serve as a paradigm: new
product ideas are created as a response to customer’s and
society’s needs. To take these ideas from the drawing
board to full-scale production is a technological chal-
lenge that must be seen as such. Continuous further
development of the process is then necessary to stay
ahead of the competition.
Going back to the 1920s further products started being
developed and produced using high-pressure synthesis at
BASF (urea, methanol and synthetic fuel). Being able to
cope effectively with pressure, temperature and corrosion
in the reaction stage was the crucial challenge. The focus
of chemical, technological and process engineering devel-
opment work was aimed at enabling reactions to take
place. However, even then, ‘the optimal design of the
entire process chain’ had to be taken into account at the
same time — an objective, which Carl Bosch emphasised
in his Nobel Prize speech (Bosch, 1932).
The need for systematic and substantially formalised
descriptions of the various process steps and of the over-
all process continued to increase in subsequent years.
The reasons for this were the rising number of different
products and the tremendous increase in production
volumes. In addition, more demanding production re-
Fig. 6. Bosch Reactor for ammonia synthesis. quirements forced chemical engineers to develop new
processing concepts: the transition from batch processes
to continuous processes had to be achieved. This devel-
ammonia plant was built in Oppau near Ludwigshafen. opment led away from parallel production lines to large
It had an annual production capacity of 7200 metric tons. single-line plants which were, particularly at the begin-
The next two figures may help us better understand the ning of the plastics age in the 1950s and 1960s, needed for
development that ammonia production has undergone producing the necessary monomers. An additional chal-
since the early years: Fig. 7 shows the Oppau works in lenge was presented by the increasing length of process
the 1920s with its numerous power stations. In 1921, chains which led to a requirement for a higher degree of
65,000 metric tons of ammonia and its downstream prod- purity of the individual product streams.
ucts were produced at the Oppau works. Fig. 8 shows our It was not just BASF that had to address these
latest ammonia plant, which came on stream in 1991 in challenges: they were taken on by the whole chemical
Antwerp and has a production capacity of 490,000 metric industry, universities and the newly founded institutions
tons per year. This is 7 times the capacity the Oppau and led to considerable research activities. In Fig. 10 you
facility had in 1921. A comparison of these two figures can see how the number of such institutions increased
gives a very good idea of what ‘process intensification’ world-wide in particular in the second decade of this
really means. century (Bla{, 1993).
In the past decades, improvements made to catalysts As far as research activities are concerned, pioneering
and a tightly integrated energy and power system have studies undertaken within our company were for
enabled a further drastic decrease in the specific energy example mixing experiments and the systematic measure-
consumption for the production of this ‘classical’ chem- ment and documentation of physical property data. In
ical (Fig. 9) (Bakemeier et al., 1985). Today, ammonia is 1931, studies had started on the design of stirred vessels
a commodity, namely a standard product whose produc- and agitators so that they could be designed reliably
tion technology is well known. Production plants can when belt drives (Fig. 11) were replaced by modern elec-
now be bought ‘off the rack’. The profitability of ammo- tric motors. Altogether more than 80,000 individual ex-
nia production depends to a high degree on the availabil- periments were carried out within the lab facility shown
ity and price of natural gas as a raw material. It also in Fig. 12. The results obtained then are still valid today.
depends on the optimal incorporation of the process into The systematic measurement and recording of product
1606 K. Wintermantel/Chemical Engineering Science 54 (1999) 1601—1620

Fig. 7. BASF Oppau site in the 1920s.

Fig. 8. BASF ammonia plant in Antwerp, operational since 1991.


K. Wintermantel/Chemical Engineering Science 54 (1999) 1601—1620 1607

properties were also started in 1931 in our Engineering you can see from Fig. 14 (whereas Fig. 1 gives sales in
Laboratory. One result was a heat atlas, which was the millions of Reichsmarks, Fig. 14 gives sales in billions of
precursor of the VDI heat atlas (VDI 1997), a standard Deutsch marks!). The idea of ‘unit operations’ created at
work for all process engineers in Germany today. Fig. 13 the beginning of this century at the MIT was systemati-
shows two pages of the 1942 edition. cally further developed by industry and universities.
A real explosion in growth of products and production In the 1970s and 1980s, we faced new challenges. The
volumes then occurred after the Second World War, as rapid increase in production volume led to problems

Fig. 9. Specific energy consumption in ammonia plants. Fig. 10. Institutionalisation of Chemical Engineering.

Fig. 11. Production Plant for dyestuff in the 1920s.


1608 K. Wintermantel/Chemical Engineering Science 54 (1999) 1601—1620

tions required for meeting these objectives in a com-


plementary fashion.

3. Body of knowledge

The task of chemical engineering in industry — and this


is shown by the historical review — has been and always
will be to design and implement complete systems. Com-
plete systems means both individual processes and plants
for producing products with specifically defined product
properties and also the integration of the individual pro-
cesses into an overall production site in terms of mater-
ials, energy and logistics.
If the processes in complete systems are to be precisely
described and controlled, their complexity first has to be
drastically reduced and subsystems have to be described
in terms of models. In this approach, process engineering
is no different from other scientific disciplines such as
physics and chemistry. Chemical engineering had re-
duced complexity in two ways (Fig. 15): the first step in
reducing complexity was to divide the complete pro-
cesses into individual subsystems (unit operations or
other functional units like parts or combinations of unit
operations). To describe these subsystems in terms of
Fig. 12. Test facility for agitators.
models, a second step was necessary. The properties of
real products had to be reduced to the essential features
required for describing a particular subsystem.
related to emissions and process residues. Society focused However, as an engineering discipline, chemical engin-
their attention on the environmental impact of process eering has to look fully, now as in the past, at the
industry and required products which not only met their complexity of real complete systems, since it is only the
actual needs but could also be produced, recycled and complete processes which make it possible to produce
disposed of in an environmentally friendly way. At the products with the desired properties. When we come to
same time it was necessary to make optimal use of raw the synthesis step the focus is on examining the effects
materials and energy because of the oil crises. These and interactions between the individual subsystems. To
topics are still with us today. In addition, competition do this we need procedures, methods, and tools, which
has in no way diminished: ever-higher levels of purity and are also subject to strict scientific criteria. However, in
quality accompanied by lower costs and shorter develop- contrast to the modelling of subsystems, it is often only
ment times are demanded today. possible to generalise the procedure but not the solution
Thanks to the further development of process engin- devised for a specific problem.
eering methods and tools, chemical engineers have been It is obvious that the description of subsystems and the
successful in meeting challenges like the ones shown in optimisation of overall systems have to be tackled on
Figs. 1 and 14. In particular, however, this was possible different levels of consideration (Fig. 16). The modelling
because highly qualified engineers were being educated of the individual process steps requires analysis at the
at universities and were then able to go into industry microscopic and even at the molecular level. In contrast,
to solve problems in a systematic, step-by-step way to the systems engineering studies are carried out on the
develop new cutting-edge technologies. macro and mega levels. The goal of these studies is to
I have given this historical review to show the extent to integrate the individual steps in a particular process.
which societies and customer’s expectations have These processes need then to be integrated in turn into
changed — and this has had enormous ramifications for the overall production complex while at the same time
products and processes of the chemical industry. This in taking into account the requirements of both customers
turn has been the driving force behind the development and the larger society.
of chemical engineering as a scientific discipline: re- It would be unrealistic to expect that in the near future
searchers in both universities and companies have been one single simulation tool will be able to tackle all levels
trying to meet the objectives of industry in a more general simultaneously. It will continue to be the task of chemical
way. Together they have generated the scientific founda- engineering to analyse subsystems at that level, which is
K. Wintermantel/Chemical Engineering Science 54 (1999) 1601—1620 1609

Fig. 13. Excerpt from Heat Atlas (1942).

Fig. 15. Body of chemical engineering knowledge.


Fig. 14. Growth in BASF sales and challenges to chemical engineering
since 1950.

Because today not every subsystem can be modelled


adequate to represent the individual problem complexity. precisely and because there is still a lack of integration
However, the models based on this knowledge must methods and tools, chemical engineers need to draw on
reduce the complexity of the lower level findings in such their extensive experience of real overall systems. This
a way that the results can be integrated efficiently into the includes experimental verification of a process design
description of the problem solving at the higher level. which takes place at the macro level.
1610 K. Wintermantel/Chemical Engineering Science 54 (1999) 1601—1620

Fig. 17. Chemical engineers in the U.K. process industry.


Fig. 16. Levels of consideration in process development.

Fig. 16 shows the common view of the chemical engin- normally have to deal with products, which consist of
eering community since the Amundson Report in 1988 relatively small molecules (as it is the case for example
(Amundson, 1988), namely that the levels on which pro- with basic chemicals or plastic monomers). Properties
cesses are studied have to go beyond that of unit opera- and quality of these products are essentially a function
tions if interaction of complex systems is to be analysed of the concentrations achieved, which in turn are de-
and described correctly. Incidentally, this figure is based termined by the correct choice of process steps and
on a slide, which Villermaux showed in one of his last equipment.
presentations at the chemical engineering World Con- An engineer designing a process for such products
gress in San Diego in 1996 to illustrate these relation- usually faces one of two possible situations: either, the
ships. reaction is fully understood and can be modelled suffi-
You all are very familiar with the advanced state of ciently or the reaction mechanisms, in particular, the
development which chemical engineering has reached interaction of kinetics and fluid dynamics, cannot be
since the beginning of this century, particularly in the described in a detailed fashion.
field of process engineering; after all, you have par- In the first case he is able to simulate large-scale
ticipated over the past decades in building up this body processes completely on a computer using mainly phys-
of knowledge and giving it form and substance. ical property data. The development and the implemen-
The body of knowledge has grown to be a versatile tation of the molecular thermodynamics of fluid-phase
scientific discipline, which is not only used to solve equlibria was an important milestone in this regard
problems in chemical industry. Therefore, chemical en- (Prausnitz et al., 1986). For such processes it is possible to
gineers educated in this discipline and trained to apply its scale them up by a factor of 1 : 40,000 from the laboratory
know-how are very much in demand in the process to the large-scale plant (Figs. 18 and 19).
industry as a whole (Fig. 17; Müller-Steinhagen, 1998). In the second case, one starts the process design as well
But we now have to ask ourselves one important ques- with simulation procedures based on simplified models.
tion: what are the challenges facing chemical engineering But then, it is of crucial importance to verify the simula-
today and in the near future in the process industry and tion experimentally and to test the design in an inte-
how must we respond to them? In answering this ques- grated experimental plant with closed loops of all recycle
tion, I will make a distinction between the fields of streams to see that it actually works. Only in this way can
process and product engineering. the possible effects of by-products not included in the
computer model be detected. To keep the time and cost
of experiments low, the use of miniplant technology is
4. Present and future challenges preferred today. This enables all the functions of the
process to be tested on a small scale (liter).
4.1. Process engineering Scale-up of such processes without further intermedi-
ate steps requires more refined models, particularly for
The understanding of the individual process steps and the reaction zones. We need these models to be able to
their description in terms of models help us to design, design both a properly functioning miniplant and a large-
build and operate reliable industrial scale plants. The scale plant (Trainham, 1994). Creating such models is the
actual procedure to follow in doing this depends on the goal of much research effort today. In this context high
complexity of products and reactions: process engineers hopes are now held for the simulation of flow phenomena
K. Wintermantel/Chemical Engineering Science 54 (1999) 1601—1620 1611

Fig. 18. Miniplant.

Fig. 19. Production plant.


1612 K. Wintermantel/Chemical Engineering Science 54 (1999) 1601—1620

by Computational Fluid Dynamics (CFD). The aim is to olution in space and time is required to describe this
create a basis for better modelling of micromixing processes. dynamic behaviour.
CFD calculations already allow the local fluid- It is only by continuing to make progress in this area
dynamic conditions in a piece of equipment to be ana- that it will be possible for us to give scientifically more
lysed in great detail. Valuable conclusions about mixing accurate descriptions of the influences of reaction kine-
and reaction behaviour can be drawn both in labora- tics and fluid dynamics in the future. This in turn makes
tory and in large-scale equipment. For example, the inexpensive and rapid process development possible and
non-steady-state mixing of a reaction stopper can be opens up further possibilities to combine reaction and
described very well in quantitative terms (Pfleger et al., separation steps within one piece of equipment as is
1998). The mixing times and quality of mixing required the case in reactive distillation (Okasinski et al., 1998;
can be predicted with considerable accuracy. The velo- Bessling et al., 1997).
city vectors in Fig. 20 show the development over time of Moving up from the subsystem level methods and
the flow field induced by rising gas bubbles and the tools are required for the functional integration of the
resulting spatial distribution of stopper concentration in individual process steps and the integration of the indi-
the liquid phase at several different points in time. Probe vidual production processes into the overall production
measurements prove that the transients determined in complex. Particularly in those cases in which the produc-
our simulations correlate strongly with our experimental tion processes can now be purchased ‘off the rack’ (e.g. for
results (Fig. 21). basic chemicals and monomers), the correct integration,
For two-phase reactions it is important to describe i.e. in terms of materials, energy and logistics is crucial in
mass transfer processes and the associated reaction pro- determining whether these products can be produced
gress in order to obtain quantitative results (Sokolichin competitively.
et al., 1997). Studies done in our laboratory show that the I would again like to use BASF as an example to
dynamical processes observed can be represented very illustrate the advantages which a company can have from
accurately by simulation (Fig. 22). However, a high res- an optimally structured production complex — what we

Fig. 20. Computational fluid dynamics: gas-induced mixing process for storage tanks.
K. Wintermantel/Chemical Engineering Science 54 (1999) 1601—1620 1613

at BASF call a ‘Verbund’ (Fig. 23): the Ludwigshafen site, their integration (Gilles, 1991; Schuler, 1998; Schem-
one of the largest chemical complexes in the world, at becker et al., 1996). But today methods and tools, which
present consists of 350 plants. Simple analysis shows that enable us to optimise the whole route (beginning with the
if these plants were spread over 70 sites with 5 plants individual process steps up to the overall production site)
each, BASF would forego a profit of DM 1 billion every using one and the same criteria are only available with
year. regard to energy consumption. In this particular field
A lot of work is currently being done to improve the methods to optimise the separation sequence and Pinch
functional design and control of individual processes and Technology are well established and widely used Linn-
hoff, 1994; Kaibel, 1987). As far as other integration factors
are concerned further methods and tools for structuring
and evaluating overall system, are still needed.
In summary, process engineering has an established
body of knowledge with clear structures, which can be
taught very effectively at universities and can be used by
industry to pursue specific objectives. Further research is
needed if we are to further improve our ability to model
reactions. We also need to continue developing methods
and tools for structuring and evaluating overall systems
for the synthesis and evaluation of overall processes and
their integration into production sites.

4.2. Product engineering

Today we recognise a constantly growing demand


Fig. 21. Computational fluid dynamics: comparison between experi- within industry for chemical engineering expertise in
mental and simulation results. the field of product engineering (Villadsen, 1997). The

Fig. 22. Computational fluid dynamics: dynamic behaviour of a bubble column.


1614 K. Wintermantel/Chemical Engineering Science 54 (1999) 1601—1620

Fig. 23. Benefits of the ‘Verbund’ at Ludwigshafen.


Fig. 24. Technological maturity and our scientific understanding of the
underlying physics and chemistry.

reasons for this growing demand are:


z about 60% of all products, which a chemical company carefully guarded secrets by the companies, which have
such as ICI, DuPont or BASF now sells to its cus- been successful so far. A complete scientific elucidation of
tomers, are polymeric, crystalline or amorphous solids. the underlying chemical and physical processes is still
These products have to have a clearly defined physical a long way off. We are not yet able to describe these
size and shape in order to meet the desired quality processes in a way that allows us to apply this knowledge
standards. This also applies to emulsified and paste- to other systems and process conditions.
like products; We are still a long way away from being able to model
z 2 and the trend continues in this direction (Quad- mass transfer processes as a function of the relevant
beck-Seeger, 1990). New developments are increasingly product and equipment parameters. This is very different
concerned not with classical basic and industrial chem- from the case where we have products with less complex
icals but rather with highly specialised materials, active molecular structures. For this reason, we cannot yet even
compounds and special effect chemicals. These are very conceive of scaling up a process by a factor of 1 : 40,000
much more complex in terms of their molecular struc- from the laboratory to the industrial plant, as is possible
ture than classical chemicals are. for classical chemicals.
What is the state of our knowledge as chemical engin- What, given this situation, first needs to be done is to
eers in the field of product engineering? reduce the gap between the present-day level of produc-
The quality and properties of solid, emulsified or paste- tion technology and our understanding of underlying
like products are, after the reaction is completed, no longer physical and chemical processes. And that in turn will
determined solely by the concentrations achieved in the enable us to further improve our production technology.
separation operations. The physical form along the entire Product quality is determined at the micro- and nano-
process route plays an even more important role. So level. Therefore, to be able to design and control the
developing such a production process requires taking the product quality — and make the leap from the nano level
product properties desired by our customers into consid- to the process level — the chemical engineer will have to
eration from the very beginning. End consumers generally face challenges which go far beyond the present-day
do not judge products according to technical specifica- knowledge of a process engineer. Fig. 25 shows a list of
tions, but rather according to quality features, such as the technological know-how, which I consider necessary
taste, smell, feel and handling properties. Therefore as in the future for successful product engineering and it
a first step it is necessary to find physical parameters, clearly shows where I think the priorities lie.
which allow us to quantify those subjective impressions. Let me illustrate these thoughts using examples from
Only then can the process be designed and controlled in the fields of emulsification and crystallisation. First the
an appropriate manner. Thus the design relies on a thor- emulsification example (Schubert, 1997; Stang, 1998):
ough understanding of the structure— property relation- Many emulsions, for example ointments or even milk, are
ship at both the microscopic and molecular level, as I will ideal nutrients for many micro-organisms. They spoil
illustrate in a moment by using two examples. quickly due to microbial growth unless appropriate
For manufacturing products with complex molecular countermeasures such as pasteurisation or sterilisation
structures many different technologies have been used. are taken. A particularly elegant method is offered by
These technologies were initially developed by trial and water-in-oil emulsions: since micro-organisms can grow
error and have proved their usefulness over time (Fig. 24). only in the aqueous phase, they can be enclosed in
The recipes and the specific production know-how are droplets and their growth can thus be prevented. A
K. Wintermantel/Chemical Engineering Science 54 (1999) 1601—1620 1615

Fig. 25. Product engineering — necessary knowledge and skills needed Fig. 27. Emulsification process: breaking up of droplets and their
in the future.
stabilisation.

the equipment, process conditions and emulsifier have


been matched to one another. The kinetics of interface
formation, i.e. the processes at a molecular level, deter-
mines whether the desired end product properties will
really be achieved, even if the required droplet size had
been achieved in the first substep.
Now to the second example, namely that of crystallisa-
tion (Wintermantel, 1997; Rauls et al., 1996): The shape
and size of crystals in an industrial crystallisation process
can be influenced first of all by controlling the temper-
ature and the concentration pattern. Process control
alone does not always give satisfactory results, parti-
Fig. 26. Emulsification process: effect of the equipment shape.
cularly with regard to reproducibility of crystal size and
shape. This is frequently due to just small traces of
foreign substances, which can have a remarkable effect
prerequisite is that the droplets are not significantly lar- on the crystallisation process.
ger than 1 lm. Even stricter demands are made on emul- The photograph on the left in Fig. 28 shows the results
sions which are required for intravenous feeding. To of crystallisation from a feed solution contaminated with
avoid the danger of fat embolisms, these must have unwanted by-products. The small size and needle shape
a mean droplet diameter of less than 1 lm with no drop- of the product makes it difficult to isolate and, because of
lets larger than 2 lm. its high residual moisture content, a high amount of
Such ‘mini’ emulsions with a droplet diameter of energy is required to dry the product. A much coarser
significantly less than 1 lm and a narrow droplet size product can be crystallised by using pure water in the lab,
distribution can only be generated in high-pressure hom- and this product shows a more compact crystal form.
ogenisers with a high-energy input and suitable nozzle The picture on the right shows a very surprising further
geometry (Fig. 26). Moreover, the droplets generated in improvement: addition of some 10 ppm of an anionic
the equipment must not coalesce during emulsification. surfactant drastically changes the particle size. In order
This makes it necessary to find emulsifier systems which to understand the mechanisms causing these changes so
stabilise the droplets sufficiently quickly (Fig. 27). that we can utilise them in a controlled manner, we must
In modelling the emulsification process, the overall first of all explain the structure-activity relationships on
process has to be divided into two substeps. In the first a molecular level.
step the droplets are generated by mechanical energy and Fig. 29 shows what we have to do: in computer simula-
in the second step the droplets are stabilised before they tions, diagrams of the molecular structure of the most
once again coalesce. The resulting product quality, namely important crystal surfaces must be generated from X-ray
the resulting droplet sizes and droplet size distribution, is crystal structure data. In the same computer simulation,
determined not only by how well the disperse phase has contaminant molecules as well as molecules which are
been broken up into small droplets but also by how well expected to have a beneficial effect on the crystallisation
1616 K. Wintermantel/Chemical Engineering Science 54 (1999) 1601—1620

Fig. 28. Influences of impurities on the crystallisation of a carboxylic acid.

surface area. This can be verified experimentally (Fig. 30).


These examples should have made two things clear:
1. The study of a system on the molecular level and the
underlying theory are indispensable for product
engineering. Many quality features can only be de-
signed in a targeted way if the molecular processes are
understood at this level.
2. The scientific methods employed here, are chemical
engineering methods: equilibrium states are examined,
transport processes and kinetics are analysed separ-
ately and these are linked again by means of models.
But now we are talking about microscopic or molecu-
lar levels relevant to product quality. Although
we take the properties of particular products into
Fig. 29. Prediction of crystal habit modification using molecular consideration, the methods are still applicable to dif-
modeling.
ferent products.
But what about systems-engineering methods and
process are placed on these surfaces and their adsorption tools? Do we need them also for products with high
energy is calculated. Our hypothesis is that the growth molecular weight and complex molecular structure? One
rate of a surface becomes lower as the adsorption energy must remember the products in question are generally
increases. By comparing relative adsorption energies, the not mass-produced products but ones which are produc-
modified crystal shape to be expected can be predicted. ed in small batches and just in time for delivery to the
This is a great step forward! The figure shows as an customer. The needs of customers are constantly chang-
example that the dye molecule amaranth is adsorbed ing and evolving, and therefore these products often have
onto the 001 surface of ammonium sulphate crystals with only a short life cycle.
the highest adsorption energy in comparison with the To be competitive under these conditions too, it is
other crystal surfaces. According to our calculations, the particularly important to analyse and optimise the sup-
somewhat block-shaped crystal produced in the pure ply chains. So let us have a closer look at this. In contrast
system becomes a flat shaped crystal having a large 001 to classical process engineering, where thermodynamic
K. Wintermantel/Chemical Engineering Science 54 (1999) 1601—1620 1617

Fig. 30. Modification of crystal shape by additives.

simulations and evaluations (especially using mass and


energy balances) play a dominant role, here we are
interested in the time that individual process steps take, and
these have to be simulated and evaluated in terms of costs.
We know such event-driven simulations from manu-
facturing industry (e.g. automobile manufacturing).
However, in order to be able to use them in the chemical
industry, there was an additional challenge to meet: in
manufacturing engineering, the location of a particular
component at a given time is well defined. The compo-
nent is either in a machine or in a transport device. In
a chemical process, by contrast, a batch can be found in
a tank, a pump, a filter and a storage container simulta-
neously (Fig. 29).
New simulation tools help solve these problems by Fig. 31. Discrete event driven simulation of a production sequence.
simulating both material flows and states within the
individual pieces of equipment. This dynamic simulation
enables us to see in a matter of seconds whether bottle-
necks may occur in the plant over the course of days, a dynamic simulation of the process, we examined the
months or years. These can then be eliminated using effect of two possible changes on the total costs.
additional pieces of equipment such as tanks, buffers, 1. Up until now we have used a ‘push system’ in which
filters, larger pumps or by making additional resources the orders are steered through the processing chain
available such as energy or manpower. The computer according to a fixed production schedule. But we are
simulation also shows which alternative plant and stor- now analysing a possible change in production strat-
age strategies provide the greatest cost benefit. egy to a ‘pull system’ in which each stage produces the
In the production plant shown in Fig. 31 four different amount of product required in the following stage.
intermediates are produced in process 1 in a multiproduct 2. The other possible change we are considering would
plant operated on a campaign basis (Wollenweber et al., be the relocation of the wet milling from upgrading
1998). In process 2, final upgrading of the approximately step to process 1. This would make storage in liquid
25 end products takes place in individual batches. Using form possible.
1618 K. Wintermantel/Chemical Engineering Science 54 (1999) 1601—1620

Fig. 33. Growth in BASF sales and number of chemical engineers in its
Fig. 32. Comparison of costs for different production strategies. chemical engineering R&D department.

In both simulation scenarios, we must be able to meet To meet these future challenges, considerable research
delivery deadlines to the customer at least 99% of the effort will be necessary in the near future. Production
time. The change to pull system offered a cost advantage plants and business processes have first to be analysed
thanks to lower storage costs. The relocation of the wet using simulations, which address issues at the ‘macro’
milling step led to lower cleaning costs for this process and ‘mega’ level. Such tools for top-down optimisation
step and thus to a reduction in total costs. This in turn led make it possible to evaluate the plants and processes in
to a shift to longer campaigns (Fig. 32). terms of time and costs. Here too, further development
This was just a simple example. Many different scen- work is necessary.
arios can be tested within a short time, thus allowing the
rapid identification of an optimal solution. For instance,
the simulation of an entire production year takes only 5. Consequences for industry, research and education
10 min on a computer.
It should be clear from this example that such com- The look back at the history of BASF shows us how
puter simulations enable us to design individual steps, important consistent further development of chemical
structure the whole process and place the individual engineering knowledge has been for the company. Fur-
process in the overall context of production more easily ther extending this body of knowledge was possible be-
and quickly than was possible in the past. cause the needs of industry were addressed, and chemical
Determining how much of a product should be pro- engineers in universities and companies each made their
duced, the best means of storage and transportation, and own respective contributions to solving the problems
customers’ daily requirements are also simulated and that arose. This type of problem-oriented technological
simultaneously optimised, thus ensuring short delivery development will remain very important for the future
times and optimal use of working capital. success of our discipline. However, the following factors
In summary, the following can be said about product — which proved their usefulness in the past — continue to
engineering: the design of products with complex struc- be key prerequisites for future success:
tures (emulsions, plastics, soft products and solids) and 1. The universities must train highly qualified engineers
the development of processes for producing them require who will then be able to go into industry and address
first and foremost, process and product engineering ex- the problems awaiting them using the tools and
pertise. This is particularly the case when it is important methods of science. These chemical engineers — when
for the description of the product states and their changes necessary — must be able to work closely with their
to be on a scientific basis. The demand for chemical colleagues in universities and research institutes.
engineers who have the required product design know- The number of university educated chemical engin-
how has been rapidly increasing in the process industry. eers in the chemical engineering R&D unit of BASF is
The background knowledge that these chemical engi- shown in Fig. 33. It can be seen that the number of
neers need to have differs considerably in some ways chemical engineers directly correlates with the in-
from that of ‘classically’ educated process engineers. They crease in the company’s sales (Wintermantel, 1997).
need to fully understand processes at a molecular level The success story of chemical engineers at BASF
(e.g. surface physics and chemistry) to be able to design began with Wilhelm Nusselt, who was, as the first
production processes that ensure those products can engineer, entrusted with process engineering tasks in
consistently meet the customers’ quality requirements. a narrow sense and tackled these using scientific
K. Wintermantel/Chemical Engineering Science 54 (1999) 1601—1620 1619

remedy these deficiencies — to develop strategies to


make use of this new knowledge in an optimal way.

6. Summary

1. A look back at the history of BASF has shown us that


both the needs of customers as well as society as
a whole have an important effect on the process indus-
try — these needs largely determine what products are
produced and how they are produced. These needs
determine the challenges that chemical engineering
has to face and the know-how chemical engineers need
to have.
Fig. 34. From invention to innovation.
2. The task of chemical engineers in industry is to design
and construct complete systems. By complete systems
we mean both processes and plants that produce
methods. He was hired by BASF in 1918 and was products that fully meet the customers needs. And of
given the task of optimising the energy balance of the course complete system also means integrated produc-
ammonia process and other processes. tion sites.
2. The second prerequisite, which I would like to empha- 3. As an engineering discipline based on scientific prin-
size is that although university research and education ciples, chemical engineering has two main tasks:
is guided by the problems encountered in industry, (a) to model subsystems using the theoretical and
university scientists should not focus narrowly on methodological scientific knowledge. In this re-
meeting the needs of industry but rather on extending spect, chemical engineering is no different from the
our fundamental knowledge. natural sciences.
In 1920, Wilhelm Nusselt returned to university in (b) to develop methods and procedures, which allow
order to carry our fundamental research and pass his real systems in all their complexity to be designed
knowledge on to students. This path, namely gathering and constructed even if not all subsystems have
experience in industry and going back to the universi- been precisely modelled due to a lack of a thor-
ties with an applications perspective, has since then ough knowledge of the underlying physics and
been taken by 20 other chemical engineers from our chemistry.
unit. The structure of this body of knowledge created jointly
3. Such a research and training network requires an by universities and industry has turned out to be very
understanding on the part of industry that the source effective for coping with both past and present challenges
of many innovation processes lies in fundamental to chemical engineering, and I think that it will also be an
research (Marcinowski, 1998). Furthermore, research essential tool for successfully meeting these challenges in
and development departments within companies have the future.
to recognise that the goal of developing progressive 4. The scope and depth of the subsystem descriptions
and competitive technologies can be reached only by and the methods of designing overall systems have
being fully aware of the pioneering research being changed again and again in the past hundred years
carried out elsewhere (Fig. 34). And industry must, and they will also change in the future. In the words of
as a consequence, value in-house research efforts as P.V. Danckwerts in 1966: ‘It will be a great mistake to
highly as communication and cooperation with the think of the content of chemical engineering science as
people and institutes who are responsible for doing permanently fixed. It is likely to alter greatly over the
basic research. years in response to the changing requirements of
The examples I talked about, i.e. the CFD-applica- industry and to new scientific discoveries and ideas for
tions, emulsification, crystallisation and the discrete their application’.
event driven simulation can all serve as examples for On the basis of these changes, I see a need for
the successful collaboration between researchers at further development both in the descriptions of
universities and in companies. When working in the subsystems and also in the methods and tools for
area of ‘exploratory research’ (shown in Fig. 34) we are designing overall systems. The models for describing
interested in further developing our body of know- reactions, i.e. the coupling of reaction mechanisms and
ledge in a way that enables us — to detect problem fluid dynamics are of primary importance in process
areas where our knowledge is insufficient and — in engineering. To achieve this goal, investigations in-
close co-operation with university researchers — to cluding the micro level are absolutely necessary. In
1620 K. Wintermantel/Chemical Engineering Science 54 (1999) 1601—1620

product engineering the elucidation of the structure- Kaibel, G. (1987). Gestaltung destillativer ¹rennungen unter Ein-
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Linnhoff, B. (1994). Use pinch analysis to knock down capital costs and
role in determining the properties of the end products. emissions. Chem. Eng. Progr., 90 (8), 32—57.
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may help show how we have to proceed in general. BASF group. News Release, Presentation on August 3 in London.
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