荷荷 TU/e 荷荷荷荷荷荷荷荷荷荷荷
荷荷荷荷荷荷荷荷荷荷荷荷荷荷荷荷荷
荷荷荷荷荷荷荷荷荷荷荷荷荷
荷荷 1-2荷 “Mico Flow Chemistry and Process Technology”
Topic title: Experimental research of plasma assisted propane reforming
Name supervisor: Prof. V. Hessel
E-mail address:
Summary
The plasma assisted propane reforming will be carried out in a simple-structured glid-arc
discharge reactor in this project. Propane reforming by using oxygen and steam will both be
investigated. The optimal operating conditions for synthesis gas production as well as the kinetics
of the reaction system will be studied. Besides plasma reforming by itself, the synergetic effect
ofapplying both plasma and heterogeneous catalysts will be investigated in order to gain insight
into their interaction and improved performance. The energy efficiency will be evaluated and
optimized by studying different operating conditions as mentioned above.
Topic title: High-c, T Biphasic Flow Processing of D-Fructose to HMF and Levulinic Acid
Name supervisor: Prof. V. Hessel
E-mail address:
Summary
The conversion of cellulose-glucose-fructose-HMF presents a central pathway in the emerging
biomass chemistry field and probably one with highest chances for use of micro process
technology. In this context, a biphasic flow processing of D-Fructose to HMF and levulinic acid
with HCl/CH2Cl2 (following Chem.Commun., 2012, online) shall be developed and optimized, in
particular concerning the multi-phase mass transfer. The common aim to work at high
concentrations (high-c) will be followed; moreover, it will be tested if other harsh process
conditions such as high temperature (high-T) (or high pressure, high-p) are beneficial as well. This
involves also finding smart solutions for the reaction medium such as the use of MIBK as
environmental friendly solvent, effective extracting agent with green profiles (following
ChemSusChem 5, 2012,383) and phase modifiers to facilitate phase separation and prevent side
reactions (following Science 312, 2006,1933). This shall be completed developing scale-out
concepts towards real-case needs and possibly the coupling to a second HMF derivatization step
(e.g. selective oxidation/reduction).
荷荷 3-6荷Optimizing Configure To Order Supply Chains
High-tech companies produce their customer-specific products on the basis of forecasts for
modules produced by their first tier suppliers, while assembling these modules into final products
once the customer order is agreed upon. This way of working enables these high-tech companies
to produce their products within a reasonable amount of time. Examples of such companies are
ASML and FEI. Companies like these face a multitude of uncertainties due to both product
innovations and product complexity. The impact of product innovation is two-fold: uncertainty in
manufacturing processing times and uncertainty in customer requirements for modules and final
products.
In order to cope with uncertainty in demand and processes we have to use slack in the forms of
slack capacity, slack materials and slack time. After over 50 years of research it is still an open
question what combination of the three slack options mentioned is most effective for a particular
situation, i.e. yields a required operational customer service against minimal investments and cost.
Research by Whybark and Williams (1976) on very basic situations using simulation seems to
indicate that slack time should be used in case of demand timing uncertainty, i.e. we know how
much, but not when, while slack materials (quantity) should be used in case of demand quantity
uncertainty, i.e. we know when, but not how much. Recently, Van Kampen et al. (2010) addressed
the same question, refining the insights, yet still relying on discrete event simulation.
In this research project we aim at not only providing deeper qualitative insight into the question on
effective use of slack to buffer against process and demand uncertainty. Our ambition is to develop
generic and empirically valid quantitative models that are derived from a parsimonious description
of the demand processes and manufacturing (transformation) processes involved , as well as a
parsimonious description of control policies that create the required slack through timely release
of resources and materials. We emphasize here the parsimony of the description as we have
empirical evidence that the precise definition of the control policy is less important than its
fundamental characteristics, such as frequency of release, and average slack created of each of the
three possible options. We believe that parsimony leads to models that allow for rigorous
mathematical analysis.
To provide some more insight into the way we want to develop models and methods to determine
optimal combination of slack, we consider the special case with processing uncertainty, only. We
assume that production of a machine involves N processes. Each process has a throughput time
with some probability distribution. By setting a so-called safety lead time we can create a time
buffer for each process. The key question is how to determine the optimal safety lead times that
minimize the sum of work-in-progress costs and lateness costs. This model was introduced in
literature by Yano (1987), and Gong et al (1994) determined an efficient recursive optimization
method.
Recent TUE contract research at ASML has revealed that the model proposed by Yano (1987) can
easily be extended to represent assembly systems, where multiple parallel processes (to assemble
modules) feed a final assembly process consisting of subsequent stages that include machine
assembly, testing, additional assembly of optional modules and additional testing.Exact
expressions have been derived for the relevant performance characteristics. However, there is no
hope for efficient exact computation of these expression for given safety lead times, let alone to
find the optimal safety lead times. Fortunately, two-moment fits using mixed Erlang distributions
yield accurate approximations. Furthermore empirical data show that the model is a valid
description of reality. Finally, a conjecture has been formulated leading to an efficient optimization
algorithm.
The conjecture formulated is an extension of the famous Newsvendor equation. Diks and De Kok
(1998) show that optimal policies for controlling divergent multi-echelon inventory systems can
be seen as a set of recursive generalized Newsvendor equations. The conjecture for the stochastic
assembly system described above states that equivalent generalized Newsvendor equations can be
formulated, yet we lose the computationally attractive recursive structure. The efficient
optimization algorithm is based on decomposition of the system into serial systems, for which the
recursive optimality equations emerge again and a fixed point contraction.
PhD project 1: Optimal safety lead times for CTO manufacturing
A first step in our research is to develop rigorous proofs of the conjecture for the special (ASML)
case considered. The next step is to identify if the resulting theorem can be extended to general
assembly systems, i.e. systems where each process has a single successor, but has an arbitrary
number of predecessors. Preliminary research seems to suggest that similar Newsvendor equations
may hold for divergent systems, which we aim to proof as well. The ultimate goal in our study of
systems with processing uncertainty, only, is optimization of general networks. If we accomplish
this, then we have developed a theory for stochastic project networks, which does not exist until
now.
PhD project 2: CTO manufacturing under finite capacity
In parallel to this research we want to include the resource perspective by assuming that each
processing step involves one or more resources. By doing so we can study the impact of resource
slack on throughput time uncertainty. The above perspective is a single-machine perspective,
while in many cases multiple machines are produced in parallel and subsequently by the same
resources. Depending on the manufacturing network topology this leads to queueing networks.
Serial assembly systems yield tandem queues. We want to see how the setting of safety lead times
impacts the queueing behavior and how the queueing system, i.e. the resources, impact the
uncertainty in the throughput times. Thus, we expect a hierarchical modeling approach in line with
the conceptual framework for production management by Bertrand et al (1990).
PhD project 3: Supply Chain Management for CTO manufacturing
A final research project is aimed at incorporating the above into a multi-item multi-echelon
inventory system representation of supply chains of Configure-To-Order companies that are
driven by their orders for modules and parts. Here the quantity buffers come into the picture. We
foresee to build on the research of Diks and De Kok (1998, 1999) and Dogru et al (2013).
Requirements for PhD candidates
Strong mathematical background, in particular in probability theory, non-linear optimization,
stochastic dynamic programming.
Programming skills (C++, C#)
Fluent in English writing.
Contact details
Prof.dr. A. (Ton) G. de Kok
Professor of Quantitative Analysis of Operational Processes
Director European Supply Chain Forum />Eindhoven University of Technology
Department of Industrial Engineering and Innovation Sciences
School of Industrial Engineering
P.O. Box 513, Pav. E4
NL-5600 MB Eindhoven Netherlands
Phone: +31-40-2473849/3503
E-mail:
Home page: www.tue.nl/staff/a.g.d.kok
Secretary:
Mrs. Claudine Hulsman-Paul
tel. no. +31 (0)40 247 3503
email:
Present Monday, Tuesday, Thursday
荷荷 7荷Machine Learning for Signal Processing Personalization
Project Description
This research program is aimed at developing modern machine learning methods that lead to
improved performance of signal processing algorithms under changing real-world conditions. In
particular, our approach is to study models of human (brain) learning and adaptation and apply
these ideas to the design of personalized signal processing applications. Key areas of interest
include Bayesian machine learning, probabilistic graphical models, computational neurosciences
and signal processing. The long-term goal is to develop neural-inspired signal processing
algorithms that adapt on-line to changing physical conditions in the environment and to the
(possibly changing) preferences of end users. The methods are in principle applicable to a wide
range of applications. In order to make the project relevant and concrete, we will test the
developed methods on in situ personalization of hearing aid sound processing. You will also be
allowed to follow your own interest and explore alternative applications. See also
/>Requirements of Candidate
Successful candidates should be a good match to the following profile:
A M.Sc.-degree in either electrical engineering, computer science, math or physics;
A record that shows specific interest in any or more of the following fields: signal processing,
machine learning, computational neurosciences;
Experience in scientific programming, preferably in MATLAB;
Good written and spoken command of English language;
A positive attitude, willingness to work· hard and know how to have fun at it.
Supervisor
Prof.dr.ir. Bert de Vries Signal Processing Systems Group Dept. of Electrical Engineering,
Technical University Eindhoven t: +31-40-247-8328 e:
w:
荷荷 8-11 荷Project title: Liver cancer-on-a-chip as a tool to investigate Tumor Treating Fields
in vitro at a biochemical and cellular level
Groups involved
Brainbridge Zhejiang University (ZJU)
Prof. Qun Fang
Zhejiang University， Institute of Microanalytical Systems
Zijingang Campus ， Hangzhou, 310028
China， +86-571-88206771
Eindhoven University of Technology (TU/e)
Prof. dr. ir. Jaap M.J. den Toonder
Eindhoven University of Technology
Department of Mechanical Engineering
Materials Technology Institute (MaTe)
PO Box 513 ， 5600 MB Eindhoven
+31 40 2472851
Project effort
1 PhD student (CSC); 2 Master students (TU/e)
Project description
Aim
Develop a cell-based liver cancer-on-a-chip model as a tool to enable investigation of molecular
(biochemistry) and cellular effects of electromagnetic fields (EMF) on liver cancer cells. In a later
stage, the liver cancer-on-a-chip could be used to find the optimum treatment strategy of liver
cancer using EMF, for the development of an EMF-based therapy in the future.
Background
Liver cancer, or hepatocellular carcinoma (HCC) is primarily an Asiatic disease, although it is
rapidly increasing in the US. The incidence is around 600,000 per year, with one person dying of
HCC every minute. The disease is usually detected in a late stage and treatment options are very
limited, resulting in an extremely poor prognosis. 80% of detected cases are not candidates for
curative surgery. In addition chemotherapy is not effective, reason why the prognosis is extremely
poor. Main causes of HCC are HCV (2/3), HBV, aflatoxin, alcohol, and (rare) hemochromatosis.
The main signaling pathway involved in driving liver cancers is the Wnt pathway.
Liver cancer treatment options are very limited, partially due to the often severely impaired liver
function. Preferred therapy is surgical, i.e. local resection (only very few patients eligible) or liver
transplant, radiofrequency ablation (RFA), or transarterial chemo-embolisation (TACE). Cirrhosisassociated bleeding problems complicate surgery and shortage of transplant donors is a
complicating issue for liver transplantation. For more progressed tumours chemotherapy is the
only option. Classic chemotherapy, either single or combination is minimally effective. A few
targeted therapies have been tried and shown to have promise in inoperable patients. However, the
expectation is that if novel targeted drug therapies become available they will be very expensive.
This emphasizes the need for inexpensive local treatment approaches.
One of the potential new treatments of primary liver cancer is based on the application of
electromagnetic fields: Tumor Treating Fields (TTF). Initial research efforts indicate that
electromagnetic fields may influence cell division, and can be used to treat some forms of cancer.
It has been shown that low-intensity (1-2 V/cm), intermediate-frequency (100–300 kHz),
alternating electric fields, delivered by means of insulated electrodes, can impede the growth of a
variety of aggressive human and rodent tumor cells 1. Subsequent studies provided clinical
evidence that amplitude modulated electromagnetic field therapy (AM-EMF)2,3 can be effective.
A recent poster presentation at the AACR4 showed that AM-EMF fields operated at specific
modulation frequencies (between 400 and 20000 Hz) significantly decreased the proliferation of
HCC (primary liver cancer) and breast cancer cell lines, using mouse models. However, the same
frequencies did not affect proliferation of THLE-2 cells or breast epithelial cells. If true, these
findings could lead to a new therapeutic approach for controlling primary liver cancer cell growth
while not affecting healthy tissue. Potentially this could result in a minimally invasive treatment
modality for intrabuccal administration of an AM electromagnetic field to treat primary liver
cancer.
1 Kirson et al., Disruption of Cancer Cell Replication by Alternating Electric Currents. Cancer
Research 1994
2 Barbault, A. et al., Amplitude –modulated electromagnetic field for the treatment of cancer:
discovery of tumor-specific frequencies and assessment of a novel threrapeutic approach, Journal
of Experimental & Clinical Cancer Research 2009, 2851.
3 Costa, FP et al., Treatment of advanced hepatocellular carcinoma with very low levels of
amplitude modulated electromacgnetic fields, Br Journal of Cnacer 2011, 105, 640.
4 Jacquelyn W Zimmerman et al., Cancer cell proliferation is inhibited by specific modulation
frequencies, AACR 2012.
Currently more medical centers are starting to investigate the effects of electromagnetic fields on
cancer and brain tumors and neurological/psychiatric disorders like depression, psychosis etc.
Despite the preliminary indications of clinical effectiveness, a sound scientific basis underlying
these clinical research initiatives is currently lacking. Some hypotheses are that the AM EM field
interferes with ligand gated calcium channels of the cells, thus interfering with cell signalling to
cause downregulation of specific genes which play a role in tumor growth and progression.4
Prior to investing in these novel therapeutic approaches, it needs to be clear what the cellular
effects (at the molecular level) are of different electromagnetic fields (at different frequencies,
modulations, intensities, duration). With the proper in vitro disease model systems this can be
investigated. Novel in vitro 3D cell-based model systems can now be developed on a chip, socalled organ-on-a-chip. In the Netherlands the KNAW is actively supporting these high potential
developments. In the US much funding has been committed by the FDA/NIH/DARPA to
development of the organ-on-a-chip field.
Organs on chips are multicellular mini-organs grown in a microfluidic chips that in vitro
reproduce complex, integrated organ-level physiological and pathological responses of humans.
To grow, maintain, and analyze representative human organ tissue in vitro, it is necessary to create
the appropriate microenvironment in which biochemical, physical, and geometrical factors are
controlled with high spatiotemporal precision. This can be done with microfluidic technology that
can produce “chips” in which small volumes of liquids can be precisely controlled and moved
through microscopic (micrometer and millimeter-sized) channels and chambers, much as blood
flows through the body, creating a microenvironment in which the mini-organs can grow, function,
and interact similar to the in vivo situation. Physical stimuli such as mechanical stresses and
pressure can be built in these chips. Electromagnetic fields can be controlled in the chips by the
integration of electrodes that are driven in a controlled manner. Moreover, the chips can be made
microscopy-compatible such that biological processes can be directly imaged and quantified, if
made use of proper (bio)markers.
This approach can be used to create liver-on-a-chip and liver cancer-on-a-chip that makes it
possible to study biological responses to applied electromagnetic fields, in a much better
controlled manner than in simple cell models or animals. In a later stage, the liver-on-a-chip could
be used to find the optimum treatment strategy of liver cancer using EMF, for the development of
an EMF-based therapeutic device in the future.
Description
The aim of this project is to develop a cell-based liver cancer-on-a-chip model as a tool to enable
investigation of molecular (biochemistry) and cellular effects of electromagnetic fields on liver
cancer cells. Microfluidics technology will be used to develop chips that provide a suitable microenvironment for the liver cells and liver cancer cultures, with integrated electrodes to apply the
electromagnetic fields. The chips will be microscope compatible. As cell sources, we will start
with cell lines, e.g. the HEPG2 cell line. In a later stage during the project, we will use cancer
stem cells, derived from primary liver cancer, and primary liver cancer cultures.
Important hallmarks of cancer are uncontrolled cell division, cancer cell invasion and migration,
associated with a switch to cancer stem cell phenotype – all governed by activation of specific
signalling pathways in the cells. As initial readouts simple cell division markers can be used, while
real time activation of oncogenic signalling pathway activation in the cells can be monitored using
specific fluorescent reporter constructs and calcium ionophores. Using antibodies against cell
adhesion molecules and membrane stem cell and apoptosis markers, the switch to cancer stem
cells, loosening of cell-cell contacts, and apoptosis, can be visualized real time, while using
fluorescently (GFP) labelled cells migratory behaviour can be monitored. It is expected that
application of EMF will have an effect on one or more of these processes to be effective.
The project has a technological component, as well as a biological/clinical component. The work
will be carried out by a PhD student and two MSc students. The PhD student will initially focus
on the technological component. The MSc students, will focus primarily on the biological/clinical
aspects. The testing will be a joint effort. liver cancer cells matrix electrode dielectric layer
Perfusion fluid Glass substrates PDMS PDMS flexible membrane
This work will be carried out at TU/e, making use of microfabrication facilities and cell biology
lab of the Materials Technology Insitute (MaTe).
Profile candidate
The PhD candidate must have experience with / knowledge of microfluidics technology,
microdevice fabrication, applications in cell biology and medicine, and working with and
characterization of cells. Students in the group of prof. Qun Fang (Zhejiang University) may very
well have the requested profile. The groups of prof. Den Toonder and prof. Fang have worked
closely together in the framework of the “BrainBridge Program”, a collaboration between TU/e,
ZJU, and Philips Research.
References
Bertrand, J.W.M., J.C. Wortmann, and J. Wijngaard (1990). Production control: a structural and
design oriented approach. Amsterdam: Elsevier.
Diks, E.B. and A.G. de Kok (1998). Optimal Control of a Divergent N-echelon Inventory System,
European Journal of Operational Research, 111, 75-97.
Diks, E.B. and A.G. de Kok (1999). Computational Results for the Control of a Divergent Nechelon Inventory System, International Journal of Production Economics, 59, 327-336.
Dogru, M.K., Kok, A.G. de,andHoutum, G.J.J.A.N. van (2013). Newsvendor characterizations for
one-warehouse multi-retailer inventory systems with descrete demand under the balance
assumption. Central European Journal for Operations Research and Economics, accepted for
publication.
Gong, L., de Kok, A.G., and Ding, J. (1994), Optimal Lead Times Planning in a Serial Production
System, Management Science, 40, 629-632.
Van Kampen, T.J., van Donk, D.P., and van der Zee, D.J. (2010) Safety stock or safety lead
time:coping with unreliability in demand and supply, International Journal of Production
Research, 48, 7463–7481.
Whybark, D.C. and Williams, J.G. (1976). Material requirement planning under uncertainty.
Decision Sciences, p. 595-606
Yano, C.A. (1987) Setting Planned Leadtimes in Serial Production Systems with Tardiness Costs,
Management Science, 33,95-106.
荷荷 12荷
Smart materials containing comonomers having natural
antioxidant and antimicrobial properties
R. Duchateau, L. Jasinska-Walc, J.G.P. Goossens
Laboratory of Polymer Materials, Department of Chemical Engineering and Chemistry,
Eindhoven University of Technology, P.O. Box 513, 5600 MB Eindhoven, The Netherlands,
RESEARCH OBJECTIVES. The aim of this project is to synthesize and characterize fully
renewable polyesters, polycarbonates and poly(ester-co-carbonate)s by catalytic
copolymerization or solid state polymerization (SSP) employing natural antioxidant and
antimicrobial agents as comonomers or initiators, to provide a significant long-term activity
effect of these agents within the polymers. Depending on the location and concentration of
the active agent, the obtained polymers are expected to reveal long-term antioxidative,
bioactive and biocompatible properties with preserved thermal and mechanical properties.
STATE OF THE ART. The preparation of high-performance polymers from renewable
feedstock can be an attractive alternative to petrol-based polymers, and therefore receives
considerable attention in both academia and industry. Apart from feedstock differentiation,
there is also an opportunity to develop materials with unique properties, which cannot be
obtained from traditional petrochemicals. Therefore, following the driving force towards the
production of environmental friendly and sustainable materials, the development of
biomass-based polymers is justified.1, 2
Polymeric materials based on renewable monomers are generally produced by step growth
polymerization. Since this route requires demanding reaction conditions and renewable
monomers, especially sugar-based ones, tend to have limited thermal oxidative stability,
alternative routes to produce such polymers have been sought. To avoid thermal
decomposition, solid-state polymerization (SSP) has proven to be an effective method to
incorporate comonomers under mild reaction conditions. Alternatively, catalytic or
enzymatic ring-opening (co)polymerization of e.g. lactones, cyclic carbonates, epoxides + CO 2
or anhydrides are relevant examples of mild polymerization strategies. 3-10 Still, during
processing of the obtained polymers, elevated temperatures are required, which generally
leads to discoloration and even partial degradation of the materials. To stabilize such
polymers during processing, synthetic antioxidants, such as Santowhite or Irganox, are
generally added, but migration of these agents decreases their long-term efficiency and can
lead to for example blooming on the surface. Likewise, other additives such as antimicrobial
agents are also simply blended in the polymer material and are only effective on the short
term due to the same diffusion problem.
A possible solution to this problem might be the covalent incorporation of comonomers or
initiating groups with antioxidative or antimicrobial properties. Fortunately, Nature has
provided us with excellent antioxidants and antimicrobial agents that also contain the right
functionality to be used as initiators or comonomers in renewable polymers. Examples are
vitamin E (tocopherols/ tocotrienols) and vitamin C (L-ascorbic acid) having in addition to the
antioxidative properties unsaturated and/or hydroxyl functionalities, which allow their easy
incorporation into the backbone of a variety of polymers. Furthermore, being natural
products, vitamins are biocompatible and biodegradable.
As pointed out by Misra et al.11 blending of vitamin E into poly(3-hydroxybutyrate)/bioglass
composites is a suitable route towards hard-tissue engineering materials with enhanced
oxidative stability and hydrophilicity. But as mentioned above, due to migration to the
surface the long-term effect of the antioxidant is very limited. The inhibited oxidation of the
polymers enriched with vitamin E has also been explored for poly(ether urethane)s, 12 ultra
high molecular weight polyethylene,13, 14 and poly(DL-lactic acid).15 Likewise, blends of
chitosan with polyurethanes16 or polyacrylonitrile17 with addition of 0.5% of this natural
compound showed nearly 100% reduction in bacteria.
Some preliminary studies on the chemical fixation of the antioxidants and antimicrobial
agents were carried out and the results indeed indicated an improved long-term effect. A
study of Morozowich et al.18 proved that long-term bioactivity of vitamin E can be achieved
via chemical bonding of this compound with a polymer backbone, e.g. polyphosphazenes.
Likewise, chitosan-grafted PET was produced as self-sterilized material, 19 eugenol-modified
methacrylates20, 21 were proposed as intrinsically antibacterial materials, while
permetoxylated ε-caprolactone-lipoic acid copolymers22 were considered as protein-resistant
surfaces. So far, these antioxidants and antimicrobial agents were introduced to the polymers
as substituents on monomers like methacrylates or lactones. Unfortunately, these bulky
branches heavily disturb the polymer physical and mechanical properties.
Although many of these agents are interesting molecules with positive structural properties
(Scheme 1), so far, these molecules have not been incorporated as comonomers or chain end
groups (initiators or end-cappers). A highly efficient method to introduce these agents as
comonomers to polycondensates is by solid-state polymerization (SSP). 23 This method allows
building in a high concentration of reactive agent in the amorphous phase (where it is
needed), without disturbing the crystallinity of the polymer. Besides, by using SSP possible
problems with the thermal instability of the monomer can be circumvented.
The presence of functional groups in the antioxidants and antimicrobial agents also gives an
excellent possibility to introduce them as chain-end group (e.g. initiator or end-capper). In
this case, these agents will have a high mobility, which will be beneficial for its action in the
amorphous phase. Applying them as chain end will also allow them to be used in semicrystalline polymers without disturbing the crystallinity of these polymers and hence the
desired properties of the materials will be preserved.
So far, no in-depth study on the synthesis and long-term effects of renewable polymers, for
example polyesters, polycarbonates, poly(ester-co-carbonate)s and polyamides, synthesized
by catalytic copolymerization or by SSP employing natural antioxidant and antimicrobial
agents has been performed.
SCIENTIFIC AND TECHNOLOGICAL APPROACH. The development of new polymeric materials
originating from biomass, which retain specific physicochemical and mechanical properties,
involves an adequate combination of a mild synthetic route with a proper selection of biobased monomers. One of the attractive methods is the catalytic transformation of e.g.
(di)lactones into aliphatic polyesters3, 6-9 or carbon dioxide into aliphatic polycarbonates by
the copolymerization with oxiranes.24-26 Alternatively, SSP can be used to effectively build-in
comonomers into virtually any polycondensate under mild conditions. By introducing natural
antioxidative or antimicrobial agents as comonomers, interesting performance polymers with
improved long-term oxidative or bioactive properties can be obtained.
OH
HO
HO
CH3 O
O
OCH 3
O
α-tocopherol
HO
curcumin
O
H
HO
CH3 O
OH
O
O
OH
HO
HO
eugenol
OH
S S
L-ascorbic acid
α-lipoic acid
chitosan oligosaccharides
Scheme 1. Chemical structure of antioxidants and antimicrobial agents proposed for the incorporation
into the backbone of the polymers.
Based on the concept that long-term activity of antioxidants and antimicrobial agents is
ensured by incorporating them into the polymer backbone via chemical bonding, several
synthetic methods towards modified polyesters, polycarbonates and poly(ester-cocarbonate)s will be applied. Given the presence of hydroxyl, carboxyl or amine groups in the
biologically active molecules (see Scheme 1) they can be successfully used either as initiators
for ring-opening polymerization or modifiers of the polymer end groups. This method will be
very effective for e.g. the catalytic ring-opening homo- and co-polymerizations of lactones
and related cyclic monomers. These polymers will be end-functionalized with L-ascorbic acid,
curcumin or chitosan, or their modification products, which will be applied as initiators,
affording materials with different topologies. This approach provides the highest possible
mobility and therefore activity of the modifying agents, with minimum effect on the polymer
properties. The reactions will be catalyzed by selected state-of-the-art catalyst systems.
Alternatively, these agents can easily be built as comonomers in the amorphous phase
during SSP. Both methods are very suitable for semi-crystalline polymers as they preserve the
polymer’s physical and mechanical properties.
For the modification of amorphous materials a suitable method is the incorporation of the
rigid bioactive molecules like L-ascorbic acid into the backbone of the polymers. One of the
most appealing features of L-ascorbic acid is its intrinsic rigidity originating from the furan
ring, which can significantly enhance the glass transition temperatures (Tg) of the polymers
and thereby broaden the application window of these materials. In this case, the antioxidant
agent will be released when the polymer starts to degrade and further decomposition of the
macromolecules will be prevented.
Introducing the active agents as chain-ends (as initiators), distributing them non-randomly
(SSP) or randomly (copolymerization), allows studying the effect of the concentration and
location of the active agent on the antioxidative or biocidal activity.
For this study, a selection of semi-crystalline renewable polymers will be used. The polyesters
of choice are the well-known polylactic acid (PLA) and polybutylene succinate (PBS) as well
as the rather unexplored poly-2,3-butylene-furanoate (PBF). Poly(trimethylene carbonate)
(PTMC) and its copolymers prepared by ring-opening polymerization (ROP) of TMC with
lactide and butylene succinate are chosen as polycarbonate/poly(ester-co-carbonate). PLA
and PTMC can be formed by ROP. PBF is typically produced by polycondensation. PBS can be
produced using both methodologies. Both PBF and polycarbonates, which tend to contain
ether linkages, will reveal increasing sensitivity to oxidation and are excellent examples to
test the effect of incorporated natural antioxidants.
The detailed characterization and testing of the polymers will involve the whole range of
analytical techniques - thermo-mechanical analysis (DSC, TGA, DMTA), molecular analysis
(SEC, liquid-state NMR), tensile tests, degradation tests. Crystal structure of the selected
semi-crystalline polymers will be analyzed using wide-angle X-ray diffraction (WAXD). The
analysis of WAXD data in the proposed project will confirm the presence of biologically active
monomers in the amorphous phase of the materials. For the analysis of the chain
conformation, the combination of Fourier Transform infrared (FTIR) spectroscopy with 13C{1H}
magic-angle spinning/cross-polarization (CP/MAS) NMR spectroscopy will be particularly
suitable as these methods give complementary results. This approach can provide reliable
information concerning the morphology and the differences in the arrangement of rigid and
more flexible motifs in the polymers. 27, 28 This sophisticated solid-state NMR technique will
also be performed as a function of temperature to characterize the different polymer chain
conformations affected by the presence of antioxidants and antimicrobial agents.
Furthermore, an extensive quantum-chemical conformational analysis (via DFT and MP2) will
be crucial to analyze the abundance of different conformers in the macromolecules.
The Oxidation Induction Times Test (OIT), as carried out in a differential scanning calorimeter
(DSC), will be used to predict the thermo-oxidative performance of the prepared materials as
well as their blends with compatible matrix materials. 29 Further, a highly desirable feature of
the project will be the analysis of the biocidal polymers for their antimicrobial properties e.g.
against Escherichia coli.
荷荷 13荷
Renewable 2-furyl oxirane-based polyesters, polycarbonates
and poly(carbonate-co-ester)s with self-healing properties.
R. Duchateau, L. Jasinska-Walc
Laboratory of Polymer Materials, Department of Chemical Engineering and Chemistry,
Eindhoven University of Technology, P.O. Box 513, 5600 MB Eindhoven, The Netherlands,
RESEARCH OBJECTIVES. The aim of this project is to produce fully renewable polyesters,
polycarbonates and poly(ester-co-carbonate)s based on cellulose by the catalytic
polymerization of 2-furyl oxirane with carbon dioxide and or anhydrides. Furthermore, the
possibility of using the these polymers as self healing materials by means of reversible DielsAlder crosslinking reactions will be evaluated.
STATE OF THE ART. The catalytic transformation of carbon dioxide into aliphatic
polycarbonates by the copolymerization with oxiranes has received considerable attention
during the past decade.i Much progress has been made with the development of new
catalyst systems and currently a wide variety of catalysts is available for this reaction. 1
Although several oxiranes have been used, thus far mainly propylene oxide and (4substituted) cyclohexene oxide have successfully been copolymerized to high molecular
weight polycarbonates. Renewable monomers such as limonene oxide and other oxiranes
like styrene oxide and also oxetanes have been copolymerized with carbon dioxide but
generally polymerization rates and molecular weights of the products were rather
disappointing.ii Only very recently, Darensbourg et al. have demonstrated that a cobalt salen
catalyst selectively copolymerizes styrene oxide with CO 2 with appreciable rate to high
molecular weight polystyrene carbonate (Mn = 80,000; PDI = 1.1; Tg ≈ 80°C).iii
Following the coupling of epoxides and CO 2, the copolymerization of epoxides and
anhydrides to the corresponding aliphatic polyesters is also receiving growing attention. For
long this reaction was abandoned due to the lack of suitable catalysts to produce high
molecular weight products.iv A few years ago, Coates reported on the alternating
copolymerization of alicyclic epoxides with aliphatic anhydrides to polyesters with high
molecular weights (Mn = 20-50.000; PDI ≤ 1.5; Tg ≈ 50°C).v The same catalyst system was also
used for the terpolymerization of epoxides, anhydrides and carbon dioxide. vi
Recent developments in our group on both epoxide/CO 2 and epoxide/anhydride
copolymerization as well as the corresponding terpolymerization reaction catalyzed by
several main group and transition metal complexes has contributed significantly to the
understanding of the mechanism and the effect of chain transfer agents in this reaction. vii It
allowed us to produce α,ω-dihydroxyl-terminated polycarbonates, polyesters and
poly(carbonate-co-ester)s for (powder) coating applications. Like others, we also tried to
incorporate renewable monomers such as limonene oxide in our polyesters, polycarbonates
and poly(carbonate-co-ester)s but like others with limited success.
SCIENTIFIC AND TECHNOLOGICAL APPROACH. With the recent developments of converting
biomass to biofuels and fine chemicals, viii we have directed our attention to using furanbased monomers in polymer synthesis. So far, we have only used furan-based building blocks
as monomers in polycondensation chemistry. Here we propose to efficiently convert the
readily available furfural into 2-furyl oxirane, ix and use it as monomer in the catalytic
copolymerization with carbon dioxide and or anhydrides to the corresponding
polycarbonates, polyesters and poly(ester-co-carbonate)s, respectively (Scheme 1). So far 2furyl oxirane has only been homopolymerized to the corresponding polyether (Mn ≤ 160.000,
mwd = 1.2, Tg ≈ 6°C).x In view of the Tg of 80 °C found for polystyrene carbonate, we expect
that the Tg of the copolymer based on 2-furyl oxirane and CO 2 will be in the same range. The
Tg’s of the corresponding polyesters are expected to be somewhat lower.
Scheme 1.
Me3S+Cl- / NaOH
CO2
>99%
+ CO2
This project is not aimed at developing new catalysts, as there are plenty suitable catalysts
available. Since 2-furyl oxirane is reminiscent to styrene oxide, and the fact that its
homopolymerization has also been reported, we are confident that 2-furyl oxirane will be
copolymerizable with anhydrides and carbon dioxide. For the epoxide/CO 2 copolymerization,
the cobalt salen catalyst, which has proven to be highly effective in styrene oxide/CO 2
copolymerization, seems most suitable. For the epoxide/anhydride copolymerization several
interesting catalyst systems are available such as aluminum or chromium salen complexes or
for example zinc β-ketiminato catalysts.1
Scheme 2.
Another highly desirable feature of the furan-functionality is their ability to undergo DielsAlder coupling reactions. Furan is a diene that readily reacts with dienophiles. Hence, the
addition of for example a bismaleimide as a dienophilic crosslinking agent or the
incorporation of maleic anhydride in the polymer backbone (Scheme 2) will provide us with a
reversible crosslinkable polymeric material that could exhibit self-healing properties in for
example coating applications.
TARGETS AND DELIVERABLES PER ANNUM. The first year will be dedicated to the synthesis,
characterization and mechanical testing of poly(2-fyryl carbonate). Starting with the same
catalyst and polymerization conditions as reported for the styrene oxide/CO 2
copolymerization, the reaction conditions and catalyst system will be optimized for the 2furyl oxirane/CO2 copolymerization. The obtained polymers will be fully characterized by SEC,
TGA, DSC, MALDI-ToF-MS, NMR and mechanically tested. Since we expect a Tg around 60 °C,
the polycarbonate might be a suitable candidate for (powder) coating applications.
Therefore, initial coating tests will be carried out in our lab and when successful, more
detailed studies will be carried out in collaboration with our industrial partners. If time
allows, the combination of 2-furyl oxirane and other epoxides will be copolymerized with CO 2
to test the versatility of the system. The results of this year should be enough for a scientific
paper on fully renewable polycarbonates. After the polycarbonate synthesis has been
optimized, during the second year the copolymerization of 2-furyl oxirane and anhydride to
the corresponding polyesters will be carried out. Our group has extensive experience in this
area. Since we know that phthalic anhydride is a reactive monomer and generally affords
high molecular weight products when copolymerized with oxiranes, we will start with this
anhydride. Later, we will focus our attention on succinic anhydride and other, preferably
renewable anhydrides. Certainly, we will test the copolymerization with maleic anhydride
(possibly as a second anhydride) to produce reversibly crosslinkable polymers. Again, the
polymers will be fully characterized and their mechanical properties will be tested. Most
likely, the optimal polymerization conditions for the oxirane/CO 2 and oxirane/anhydride
copolymerizations as well as the oxirane/anhydride/CO 2 terpolymerizations will be very
similar. It will be interesting to see whether random or block copolymers will be obtained,
which has been reported to be monomer and catalyst dependent. The topology will to a
great extend determine the properties of the terpolymer. 2b,7,xi The results of this year should
be enough for a scientific paper on fully renewable polyesters and poly(carbonate-ester)s.
Once the 2-furyl oxirane-based polymers are available, during the 3 rd year their potential in
self-healing applications will be evaluated. Reversible Diels-Alder coupling is one of the
proven mechanisms used in self-healing materials. xii Being an excellent diene, the furyl
groups in the furyl-based polymers can easily be coupled with suitable dienophiles. Either
external or internal dienophiles can be used. For example bismaelimides, 12 which can even
be partly renewable, can be added as external dienophile. Alternatively, maeic anhydride can
be built in the polymer backbone and serve as intramolecular dienophile. In both strategies,
the concentration of dienophile will be varied to study the effect on the crosslinking density
of the system. Eventually, the self-healing properties of the material will be evaluated. Based
on the fact that there are several literature precedents for the Diels-Alder coupling of furanbased polymers, we are very hopeful to obtain renewable self-healing materials based on
our polymers. The results of this year should be enough for a scientific paper on renewable
2-furyl oxirane-based self-healing materials. At this point in time it is very difficult to judge
how much time the abovementioned three subprojects will actually take. The timetable
given above is not too tight and when everything will go according to plan it will allow
additional short subprojects to be carried out in the fourth year. The rest of the fourth year
will be devoted to focus on the most promising results and to round off the experimental
work followed by writing the thesis and scientific papers.
REQUESTED BUDGET.
Personnel: One PhD-student for a period of four years.
REQUIRED BACKGROUND. Chemistry student who exiles in organic/polymer chemistry,
having affinity with lab work.
.
For recent reviews on CO2/epoxides copolymerization, see: (a) Darensbourg, D. J.; Mackiewicz, R.
M.; Phelps, A. L.; Billodeaux, D. R. Acc. Chem. Res. 2004, 37, 836. (b) Coates, G. W.; Moore, D. R.
Angew. Chem., Int. Ed. 2004, 43, 6618. (c) Chisholm, M. H.; Zhou, Z. J. Mater. Chem. 2004, 14,
3081. (d) Sugimoto, H.; Inoue, S. J. Polym. Sci., Part A: Polym. Chem. 2004, 42, 5561. (e)
Darensbourg, D. J. Chem. Rev. 2007, 107, 2388. (f) Kember, M. R.; Buchard, A.; Williams, C. K.
Chem. Commun. 2011, 47, 141.
.
For example see: (a) Inoue, S.; Koinuma, H.; Tsuruta, T. Makromol. Chem. 1969, 130, 210. (b)
Byrne, C. M.; Allen, S. D.; Lobkovsky, E. B.; Coates, G. W. J. Am. Chem. Soc. 2004, 126, 11404. (c)
Darensbourg, D. J.; Moncada, A. I.; Choi, W.; Reibenspies, J. H. J. Am. Chem. Soc. 2008, 130, 6523.
(d) Lee, Y. B.; Shin, E. J.; Yoo, J. Y. J. Korean Int. Eng. Chem. 2008, 19, 133. (e) Darensbourg, D. J.;
Moncada, A. I. Macromolecules. 2009, 42, 4063. (f) Zou, Z.-Q.; Ji, W.-D.; Luo, J.-X.; Zhang, M.;
Chen, L.-B. Polym. Mater. Sci. Eng. 2010, 26, 1.
.
Wu, G.-P.; Wei, S.-H.; Lu, X.-B.; Ren, W.-M.; Darensbourg, D. J. Macromolecules.
2010, 43, 9202.
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(a) Fischer, R. F. J. Polym. Sci. 1960, 44, 155. (b) Tsuruta, T.; Matsuura, K.; Inoue, S. Makromol.
Chem. 1964, 75, 211. (c) Aida, T.; Sanuki, K.; Inoue, S. Macromolecules 1985, 18, 1049. (b) Aida,
T.; Inoue, S. J. Am. Chem. Soc. 1985, 107, 1358. (4) Maeda, Y.; Nakayama, A.; Kawasaki, N.;
Hayashi, K.; Aiba, S.; Yamamoto, N. Polymer 1997, 38, 4719.
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Jeske, J. C.; DiCiccio, A. M.; Coates, G. W. J. Am. Chem. Soc. 2007, 129, 11330.
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(a) Liu, Y.; Huang, K.; Peng, D.; Wu, H. Polymer 2006, 47, 8453. (b) Jeske, J. C.; Rowley, J. M.;
Coates, G.W. Angew. Chem., Int. Ed. 2008, 47, 6041. (c) Sun, X.-K.; Zhang, X.-H.; Chen, S.; Du, B.-Y.;
Wang, Q.; Fan, Z.-Q.; Qi, G.-R. Polymer 2010, 51, 5719.
.
(a) Huijser, S.; HosseiniNejad, E.; Sablong, R.; Jong, C. D.; Koning, C. E.;
Duchateau, R. Macromolecules. 2011, 44, 1132. (b) Sablong, R. Duchateau, R.;
Koning, C. E. Manuscipt in to be submitted.
.
(a) James, O. O.; Maity, S.; Usman, L. A.; Ajanaku, K. O.; Ajani, O. O.; Siyanbola, T.
O.; Sahu, S.; Chaubey, R. Energy Environ. Sci. 2010, 2, 1833. (b) Corma, A.; Torre,
O. D. L.; Renz, M.; Villandier, N. Angew. Chem. Int. Ed. 2011, 50, 2375.
.
Rakotondramanana, S.; Borredon, M. E; Molinier, J. Biores. Tech. 1991, 35, 81.
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Su, R.; Qin, Y.; Qiao, L.; Li, J.; Zhao, X.; Wang, P.; Wang, X.; Wang, F. J. Polym. Sci.,
Part A: Polym. Chem. 2011, 49, 1434.
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(a) Liu, Y.; Huang, K.; Peng, D.; Wu, H. Polymer 2006, 47, 8453. (b) Sun, X.-K.; Zhang, X.-H.; Chen,
S.; Du, B.-Y.; Wang, Q.; Fan, Z.-Q.; Qi, G.-R. Polymer 2010, 51, 5719.
.
(a) Chen, X. X.; Wudl, F.; Mal, A. K.; Shen, H. B.; Nutt, S. R Macromolecules 2003, 36, 1802. (b)
Plaisted, T. A.; Nemat-Nasser, S. Acta Mater. 2007, 55, 5684. (c) Zhang, Y.; Broekhuis, A. A.; Picchioni, F.
Macromolecules 2009, 42, 1906.
荷荷 14-荷荷荷荷 16 荷荷荷荷荷荷
Supervisor: Prof.dr.ir. Jan Hensen - www.bwk.tue.nl/bps/hensen/
Theme: Computational Building Performance Simulation for Energy Efficient Buildings and
Cities
Affiliation: Unit Building Physics & Services, Department of the Built Environment,
Projects:
14.1 Multi-scale computational assessment of ventilative cooling as an energy-efficient
measure to avoid indoor overheating
In moderate climate regions, ventilative cooling can be an attractive and energy-efficient solution
to avoid overheating of both new and renovated buildings. It can contribute to higher indoor air
quality, thermal comfort and productivity. Ventilative cooling refers to the use of natural
ventilation by wind and/or buoyancy to either replace or supplement traditional air-conditioning
systems.
This project focuses on the multi-scale computational assessment of ventilative cooling as an
energy-efficient measure to avoid indoor overheating in buildings. The three main objectives are:
1.
Model development: Developing a high-accuracy and efficient coupling strategy between
Computational Fluid Dynamics (CFD), Building Energy Simulation (BES) and Building-Envelope
Heat and Moisture (BE-HM) transfer models for the analysis of ventilative cooling.
2.
Model application: Applying the developed coupled model to assess the potential of
ventilative cooling for case study buildings in the cities Copenhagen, Munich, Lausanne and
Eindhoven (i.e. the four cities of the Euro-Tech consortium).
3.
Strategy development: Suggesting optimal building design and building renovation
strategies and suggesting optimal ventilative cooling strategies for these buildings.
14.2 Smart demand management in buildings
The present electricity market, characterized by increasing energy demand and growing
penetration of renewable energies, presents a number of challenges to grid operators and is
moving toward the Smart Grid infrastructure which includes the Demand Side Management
(DSM) concept. The DSM strategy is defined as any program designed to influence the customer’s
energy use. The purpose of this project is to analyse the demand side management potential of the
built environmentwith the two main constraints being the request from the electricity market and
the thermal comfort inside the building. The focus will be on the management of thermal loads
that effect the electricity consumption in the built environment. The project has several objectives:
1.
Guideline development:Formulation of design guidelines for the development of suitable
systems for the implementation of DSM strategies addressing thermal load management.
2.
Impact evaluation:Evaluation of the technical and economic impact of different DSM
strategies on building performance.
3.
Simulation tool development:Development of an integrated simulation tool for the
optimization of the building performance under different DSM strategies.
14.3 Operational optimization using energy simulations
This project will address the issue of the operational energy and comfort performance of existing
buildings which constitute the majority of the building stock in developed economies. Numerous
studies and surveys have found that existing buildings consume on average 10-20% more energy
than necessary to meet the occupant’s needs. This project seeks to develop a toolset of easily
accessible simulation based tools which can be widely applied to the existing building stock to
assist operators and consultants with the initial and on-going analysis of the performance of
existing buildings. The project has several objectives:
1.
Surrogate model development:Develop hybrid surrogate model to assist with initial
performance assessment of existing buildings.
2.
On-going assessment tool development:Develop a data and simulation driven tool for ongoing analysis of building energy performance.
3.
Tool demonstration: Demonstrate use and effectiveness of tools in institutional buildings.
14.4 Development of Improved and Integrated Energy Modeling Software for Data Centers
Data centers have unique characteristics thattraditional energy modeling software has not been
designed to simulate. This vacuum makes it difficult to assess the most energy efficient system for
a particular project and makes it difficult to establish minimum standards for data centers. The
purpose of this research is to incorporate the characteristics unique to data centers intoexisting
energy modeling software so that data center energy use can be more quickly and
accuratelydetermined in an otherwise already established building energy computational
platform.The project objectives include:
1.
Subroutine development: Develop algorithms and write simulation subroutines toallow for
more accurate modeling of data centers.
2.
Implementation: Work with the software developer to have the subroutines incorporated
into selected software.
3.
Testing: Work with the project committee to test the subroutines over a wide range
ofenvironmental conditions, systems, and climates, to make sure that results are consistent.
14.5 Resilient Net-Zero Energy Buildings
The design of low-energy buildings is currently based on many design methods developed for
buildings with large HVAC systems and high energy consumption. These design methods do not
assist designers in the risk assessment of potential performance failures of low-energy buildings
due to a number of unforeseen scenarios.The proposed project shall develop a methodology to
design resilient optimum net-zero energy buildings with high indoor environmental quality. The
project aims to integrate current BES programs and optimization techniques in a design method
that contemplates uncertainties, and quantifies resilience. The main objectives include:
1.
Procedure development:Develop a procedure to optimize building and HVAC design
under uncertainty and scenarios.
2.
Quantify and define resilience levels:Quantify the resilience level of low-energy
buildings under different scenarios over the building life span and define minimal resilience level
requirements for different scenarios and performance indicators.
3. Strategy development: Develop strategies to bring building resilience to the required level.
14.6 Building Performance Simulationfor Control Optimization: A Virtual Building Testbed
This project proposes development of a virtual building testbed for design of robust integrated
supervisory controls for interrelated building components of different time constants.One of the
issues in modeling integrated buildings and systems is that very frequently system models or
control strategies are only available in independent simulation software packages.Also, engineers
wouldoften like to predict the performance of innovative operation strategies which are not (yet)
available in the simulation software. The basic approach of this project is to run-time couple
various building simulation tools via a co-simulation using a general solver which will then be
used to implement some model predictive control strategies. The project objectives include:
1. Prototype development:A verified proto-type, simulation-based, whole building
supervisory control design testing environment consisting of run-time coupled general solver for
modelling and simulation of the control strategy to be tested, and detailed physical models of
building and systems which represent the components to be controlled.
2. Guideline development:A methodology and best-practice guidelines regarding the
necessity and use of the above simulation environment
3. Validation: Validate results with laboratory experiments and practical application in at least
two realistic and industry relevant design studies.
14.7 Carbon Neutral Mission Critical Industrial Halls – Challenges and Opportunities
Mission critical industrial halls usually pose stringent and specific requirements on building
operation as compared to general purpose industrial halls withless stringent requirements. Some
halls are mission critical since failure might lead to a halt in the manufacturing processes or
violation of safety standards. Because of the critical nature, most designs of such halls tend to
oversize the equipment or overdesign the control system to ensure continuity in operation under
the most extreme conditions. Safety, in particular, always has priority over energy or
environmental issues. Industrial halls, with the many energy-intensive processesprovide lots of
opportunities to achieve carbon neutrality. The design solution(s) must involve multiple domains
and disciplines that interact and work seamlessly to make the building operation carbon
neutral.The goal of this project is to develop a design and operational support framework based on
energy simulations that can increase the reliability of robustly designed and built mission critical
industrial halls. One of the key factors that must be addressed is the minimization of the risks
outlined above.
14.8 Early Stage Design Support for Thermally Activated Building Shells (TABS)
Thermally activated building shells (TABS) are indeed a very old concept that is recently being
applied to an increasing number of new buildings. Such systems have many energy and comfort
advantages when properly designed and operated. For instance, the systems are water based and
allow for low temperature heating and high temperature cooling which can increase the efficiency
of the primary systems. The goal of this project is to develop a TABS design support tool that
includes elements of a design tree developed as part of the recently completed European
GEOTABS project. This support tool will include a reduced order simulation for early stage
design support that can then be built upon during the detailed design phase when a full dynamic
energy simulation is conducted for final system design.
14.9 Building Environmental Performance and User Behavior
Building environmental performance in terms of both energy consumption and indoor
environmental quality strongly depends on stochastic occupant behavior. Predictions of building
energy consumption typically differ up to 40% from measured performance and one of the main
reasons for this discrepancy is the current inability to properly model stochastic occupant behavior
and to quantify the associated uncertainties in building performance predictions. The aim of this
project is to develop a computational simulation platform that integrates models of buildings,
building services, ambient conditions and realistic occupant behavior to enable accurate prediction
of the environmental performance of buildings in-use. The project objectives include:
1.
Tool Development:Development and validation of a stochastic occupant behavior
model/tool for building environmental performance prediction.
2.
Tool Integration: Interfacing this tool with an existing deterministic CBPS tool
(possibly using co-simulation approach).
14.10
SimulationsforBetter Design Support
Performance based building regulations motivate design innovations; however, it is not yet
possible to quantify the risk of not meeting certain performance requirements in the future.The
quality of the design solution depends heavily on the alternatives a designer chooses to analyze
and normally many design alternatives are left unexplored. The goal of this project is to enhance
intelligence of CBPS tools in order toprovide design solutions and not merely answer ‘what if’
questions by searching (and finding) solutions that meet performance requirements. The aim is
also to quantify solutions via simulation with regard to risks and opportunities with the realization
that a mathematically optimal solution might not be technically optimal. This project will seek to
define utility functions which quantify the “costs” of failing to achieve performance targets as well
as combine/distinguish uncertainties in design parameters with uncertainties in technical
performance. This will be accomplished by enabling an “inverse approach” in building
performance simulation with the goal of designing robust buildings.
14.11
Design Reference Data: Present andFutureEnergy Use
During the design process there is a need for design methods that give quick insights into the
quality of the design. Using reference data in combination with building simulation tools it is
possible to draw a quick comparison between the performance of a new design and that of a
standard (conventional) design. To this purpose it is necessary to have a list of building functions
and building types with corresponding reference data about the performance of a standard
design. Next to reference data of present buildings it is also useful to know future reference data
which may affect the design. The aim of this project is to investigate the reference total energy use
based on building simulations, available literature and example buildings. Many different building
types will be included such as office buildings, residential buildings, sports halls, multi-use
buildings, etc.
14.12
Design andOperation of HybridThermal Storage Systems
Design decisions with regard to the sizing of hybrid thermal storage systems highly depend on the
operation strategy. Optimal design can only be achieved by simultaneously optimizing the
operation. Additionally, thermal energy storage is a slow responding component and an energy
efficient operation depends on the quality of demand predictions.Generally, prediction quality
decreases as the prediction period increases.On the other hand, the quality of model predictive
control increases as the length of the optimization period increases. The aim of this project is the
development of new capabilities for design support tools based on the relationship between design
and operation. This will include checking sensitivity of design decisions based on the different
operational strategies and to generate recommendations for hybrid thermal system design.
Simulation will be used in conjunction with some case studies to draw general conclusions from
experience related to the operation of existing systems.
14.13 Virtual ComputationalTestbedforBuilding IntegratedRenewableEnergy Solutions
In order to achieve zero-energy or energy-producing buildings, there is a need to predict the
performance of building integrated renewable energy solutions. This involves multiphysics
(thermal and electrical energy; losses, generation, distribution, storage,etc.) and multiscale
(component, system, whole building, neighborhood) building energy modeling and simulation.
The aim of this project is to review existing independent tools, and to develop a modeling and
simulation platform using state-of-the-art tools and approaches (e.g. Modelica, Functional
Mockup Interface) in combination with existing tools. This platform should then be used for
development and testing of virtual building integrated renewable energy solutions.
14.14
ComputationalOptimizationUnder Uncertainty of AdaptiveBuilding Facades
The traditional design process of building shells leads even today to in essence static systems.
Building shell properties like solar transparency, insulation value, thermal mass, and window area
are kept constant throughout the year for the majority of buildings. As a result, buildings do not
perform optimally and large, energy consuming HVAC installations are used to compensate for the
poor performance of the building itself. Buildings with climate adaptive thermal and solar
properties will have a much better energy performance while maintaining a high comfort standard.
This project aims to develop building performance simulation methodologies for optimizing
energy efficiency and indoor environmental qualities under uncertainties due to future changes in
building use and outdoor climate.
14.15 Semi-AutomatedCalibration UsingComputationalUncertaintyandSensivity Analysis
When building simulation results are compared to measured energy consumption for a given
building there is often a large discrepancy between the two. The difference can very easily be as
large as 50% of the measured energy consumption. To account for the difference, the building
simulation can be calibrated so that the calculated results more closely represent the actual
building performance. The common method for calibration is highly user dependent with no
process automation. This objective of this project is to develop a semi-automated calibration
methodology using computational uncertainty and sensivity analysis as well as other optimization
techniques. Such a semi-automated process should greatly reduce the time and expertise required
to adequately calibrate a building simulation.
14.16 Design Assistance for Application of Adaptable Building Shells
Lightweight buildings show certain advantages over heavyweight buildings by reducing the total
embodied energy of the construction materials. Furthermore, lightweight constructions aresuitable
for retrofitting purposes; however, typically lightweight constructions also lead tobuildings with
low thermal mass and the accompanyingrisk of comfort problems. In conventional buildings
thermal mass is a permanentbuilding characteristic depending on the building design.However,
none of the permanent thermal mass conceptsare optimal in all operational conditions. A new
concept combines the thermophysical benefits ofbuildings with low and high thermal mass by
applyinghybrid adaptable thermal storage systems and materials to a lightweight building. The
objective of this project will be to develop a design tool to assist engineers with the application of
the concept in a variety of building types.
Requirements
We are looking for highly motivated candidates with an MSc degree in Architectural Engineering
with specialization in Building Physics or Building Services, Mechanical or Environmental
Engineering, or equivalent. Experience and interest in computational simulation and energy
efficiency in the built environment are essential.We offer a stimulating and ambitious research
environment. To complement this environment, we are looking for an outstanding candidates that
meet the following requirements:
highlymotivated, talentedand enthusiastic
holding a MSc degree in Architectural Engineering with specialization in Building Physics
or Building Services, Mechanical or Environmental Engineering, or equivalent
having an independent and well-structured working style
interested in supervising master students
having strong communication skills and the attitude to participate successfully in a
multidisciplinary team
having excellent knowledge of the English language, both in speaking and writing.
Information 荷 More information may be obtained from Prof.dr.ir. Jan Hensen, email
(URL = />荷荷 15 荷 Automation of proving stream properties
Description
A stream is an infinite sequence of elements, typically specified by recursive equations. For
instance, the stream alt = 010101 fi fi fi can be specified by the single equation alt = 0 : 1 : alt.
Several techniques have been developed to prove properties of streams and stream properties. For
instance, by tools like Circ or Streambox one can enter a number of defining equations for
streams, and a goal to be proved, and then fully automatically a proof is generated. Until now this
success restricts to proving equality of streams, for instance proving equality of two distinct
specifications of the Thue-Morse stream. However, for many other properties, like transitivity of
particular relations on streams, proofs can be generated by hand in a quite mechanical way, but do
not yet have computer support. Due to the structure of the proofs, it seems feasible to develop
machinery by which such proofs can be generated automatically. On this topic there is
collaboration with the Free University in Amsterdam and the Radboud University in Nijmegen,
see for instance [1].
Goal
The goal of this project is to extend both theory and computer support on proving properties of
streams. This serves both for a better understanding of stream properties and as a case study to
extend inductive theorem proving to infinite data structures. In the implementation the atrategy
will be not to implement all kinds of search yourself, but to call external general solvers and
exploit their power. It is the intension that this project will yield several publications and will be
concluded by a PhD graduation.
Required background of the candidate
The candidate should have a master in theoretical computer science or mathematics, with excellent
skills in scientific research and ability in programming.
Supervisor
Prof Dr H. Zantema
Department of Mathematics and Computer Science
Eindhoven University of Technology
P.O.Box 513
5600 MB Eindhoven
The Netherlands
email:
web page: />telephone: +31402472749
References
[1] H. Zantema and J. Endrullis. Proving equality of streams automatically. In M. SchmidtSchlauss, editor, Proceedings of the 22nd International Conference on Rewriting Techniques and
Applications, volume 10 of Leibniz International Proceedings in Informatics (LIPIcs), pages
393{408, Dagstuhl, Germany, 2011. Schloss Dagstuhl{Leibniz-Zentrum fuer
Informatik.
荷 荷 16 荷 Control of Cellular Networks Under Communication Constraints
(CONSENSUS)
This research aims to study networks of dynamical systems interconnected via channels with
communication constraints. The novelty of the research is the introduction of a new abstraction
level in the system description: communication channels with limited informational capacity and
corresponding codecs/decodecs. The channel capacity is characterized by either a maximal or
average data transmission rate of that channel. Networks of interconnected dynamical systems can
exhibit complex oscillatory behavior. It can be, for example, coherent, which is usually referred to
as synchronization, or consensus behavior. Another phenomenon is clusterization: only some
nodes can be in synchrony. More generally, the network can exhibit some oscillatory patterns.
If one takes into account the spatially distributed nature of the networks, there is a need to
consider constraints caused by (wireless) transmission of information between the network nodes.
A possible way to cope with this problem is to take into account communication delays and/or
discretization effects between the signals at transmitter and receiver sides. A more general
framework addressed in the current project is to replace the static input-output map that describes
the topology of the network by a number of encoder-channel-decoder combinations similar to the
approach widely accepted in information theory. The motivation for this problem originates from
real applications for control via networks (e.g. coordination of moving agents) and the challenge is
in the interdisciplinary nature of the research that demands an integration of methods from
different fields: control theory, ergodic theory, information theory and computer science. A natural
constraint in this case can be formulated in terms of the maximal allowable capacity associated
with each communication channel. Networks where the cells are interconnected via
communication channels with limited capacity will be referred to as Cellular Networks with
Communication Constraints (CNCC).
The research questions to be addressed in the project:
1. Given an unconstrained cellular network, what is the minimal capacity of the channels so that
the dynamics of the constrained CNCC are close to the unconstrained one, in the sense that it
exhibits similar cooperative behavior (synchronization, partial synchronization, consensus,
oscillatory patterns, etc.)?
2. What are the encoder/decoder algorithms that solve the first question?
3. How does the network topology affect the dynamics of CNCC?
4. Study the robustness of CNCC against communication losses, unmodeled dynamics and
measurement noise.
Related works
The basic questions about the smallest communication data rate required to achieve a given
control objective is given, in various settings, by the fundamental data rate theorem, see e.g., [1]
for a recent survey. Basically, this theorem states that the rate at which the channel is capable of
reliable data communication, should exceed the topological entropy of the open-loop system. The
related research can be viewed as nearly complete for the case of linear systems; with persistent
steps undertaken towards understanding information-based control aspects for nonlinear ones, see
e.g. [1-10], and the references therein. An extension of the entropy based approach towards
complex networks is the subject of the project.
References
1 G. N. Nair, F. Fagnani, S. Zampieri, and R. J. Evans. Feedback control under data rate
constraints: an overview. Proceedings of the IEEE, 95(1):108–137, 2007.
2. A. S. Matveev and A. V. Savkin. Estimation and Control over Communication Networks.
Birkhăauser, Boston, 2009.
3. J. Baillieul. Data-rate requirements for nonlinear feedback control. In Proc. 6th IFAC Symp.
Nonlinear Control Syst., page 12771282, Stuttgart, Germany, 2004.
4. C. de Persis and A. Isidori. Stabilizability by state feedback implies stabilizability by encoded
state feedback. Syst. Control Lett., 53:249–258, 2004.
5. G. N. Nair, R. J. Evans, I. M. Y. Mareels, and W. Moran. Topological feedback entropy and
nonlinear stabilization. IEEE Transactions on Automatic Control, 49(9):1585–1597, September
2004.
6. D. Liberzon and J. P. Hespanha. Stabilization of nonlinear systems with limited information
feedback. IEEE Transactions on Automatic Control, 50(6):910–915, June 2005.
7. C. de Persis. n-bit stabilization of n-dimensional nonlinear systems in feedforward form. IEEE
Trans. Autom. Control, 50(3):299–311, 2005.
8. A. V. Savkin. Analysis and synthesis of networked control systems: topological entropy,
observability, robustness, and optimal control. Automatica, 42(1):51–62, 2006.
9. A. L. Fradkov, B. Andrievsky, and R. J. Evans. Chaotic observer-based synchronization under
information constraints. Physical Review E, 73:066209, 2006.
10. A. Pogromsky and A. Matveev. Estimation of topological entropy via direct Lyapunov method.
Nonlinearity, 24(7):1937–1959, 2011.
Requirements for PhD candidates
Strong mathematical background, in particular in dynamical systems, non-linear control.
Fluent in English writing.
Contact details
Dr. A. Pogromsky
Manufacturing networks group
Eindhoven University of Technology
Department of Mechanical Engineering
Eindhoven, The Netherlands
Phone: +31-40-2473464
E-mail:
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