8/11/2019 Materials Cap6 Draft Agenda Condense http://slidepdf.com/reader/full/materials-cap6-draft-agenda-condense 1/24 6 Materials Technology 6.1 Introduction As the 21 st century unfolds, it is becoming more apparent that the next technological frontiers will be opened not through a better understanding and application of a particular material, but rather by understanding and optimizing material combinations and their synergistic function, hence blurring the distinction between a material and a functional device comprised of distinct materials. a The Materials Technology Section of the Technology Platform Sustainable Chemistry is a network of stakeholders from academia, non-profit research institutes, chemical and down-stream industry providing an industry driven strategic research agenda for the 7 th Framework Programme. Discovery of new materials with tailored properties and the ability to process them are the rate-limiting steps in new business development in many industries. The demands of tomorrow’s technology translate directly into increasingly stringent demands on the chemicals and materials involved, e.g. their intrinsic properties, costs, processing and fabrication, benign health and environmental attributes and recyclability with focus on eco-efficiency. Materials Science deals with the design and manufacture of materials, an area in which chemistry plays the central role; there is also considerable overlap with the field of chemical engineering, biotechnology and physics. Substantial contributions include: modern plastics, paints, textiles and electronic materials; but there are greater opportunities and challenges for the future. The materials sector of the chemical sciences is vital, both fundamentally and pragmatically, for all areas of science and technology — as well as for the needs of society in terms of energy, information and communications technology (ICT), health care, quality of life, transportation and citizen protection (Figure 1). a R. A. Vaia and H. D. Wag, Materials Today, 2004, 11, 32.
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century unfolds, it is becoming more apparent that the next technological frontiers will beopened not through a better understanding and application of a particular material, but rather by
understanding and optimizing material combinations and their synergistic function, hence blurring the
distinction between a material and a functional device comprised of distinct materials.a
The Materials Technology Section of the Technology Platform Sustainable Chemistry is a network of
stakeholders from academia, non-profit research institutes, chemical and down-stream industry
providing an industry driven strategic research agenda for the 7th Framework Programme.
Discovery of new materials with tailored properties and the ability to process them are the rate-limiting
steps in new business development in many industries. The demands of tomorrow’s technology
translate directly into increasingly stringent demands on the chemicals and materials involved, e.g.
their intrinsic properties, costs, processing and fabrication, benign health and environmental attributes
and recyclability with focus on eco-efficiency.
Materials Science deals with the design and manufacture of materials, an area in which chemistry
plays the central role; there is also considerable overlap with the field of chemical engineering,
biotechnology and physics. Substantial contributions include: modern plastics, paints, textiles and
electronic materials; but there are greater opportunities and challenges for the future.
The materials sector of the chemical sciences is vital, both fundamentally and pragmatically, for all
areas of science and technology — as well as for the needs of society in terms of energy, information
and communications technology (ICT), health care, quality of life, transportation and citizen protection
(Figure 1).
a R. A. Vaia and H. D. Wag, Materials Today, 2004, 11, 32.
Figure 1: Proposed Structure for the Materials Technology Section
Doing complete life cycle analysis on the new developed products and considering all the ecological
as well as the socio-economic components will help to ensure growth and employment in the
European Economic Area (EEA). Furthermore, material science will play an important role in
contributing to solve some emerging societal needs and to increase the quality of life of European
citizens.
Converging with the various performance demands are a suite of new technologies and approaches
that offer more rapid new materials discovery, better characterisation, more direct molecular-levelcontrol of their properties and more reliable design and simulation.
To provide the reader with a point of reference of SusChem priorities within the seventh framework
program (FP7), set up by the European Union (EU), and the variety of interactions within the
Cooperation, Ideas, People and Capacities sections, the following Table 1, outlines the significance of
Material Technology section. From Table 1 it is clear to perceive that CHEMISTRY and Materials
Technologies are pervasive throughout the nine thematic priorities. In certain thematic priorities there
is a major contribution to be anticipated from CHEMISTRY and Materials Technologies, while in
others the influence is not directly obvious. Within Ideas and People sections the aim is to augment
the researchers vocational prospects within the EU and in Capacities to provide input into structural
reforms for future research programs. Two important developments that fall into these categories are
the creation of a EU Materials Technology Institute and an Institute for Norms and Standards, with a
particular focus on Nanomaterials.
Table 1: The importance of Material Technologies within the Cooperation section of the EU FP7
Relevance to the Thematic Priorities (TPri) set out for EU FP7:
VERY STRONG relation to the objectives of the TPri; major contributions to solutions in the Tpri
STRONG relation to the objectives of the TPri; contributions to solutions in the TPri
relation to the objectives of the TPri; minor contributions to solutions in the Tpri
Vision
The Vision of the Materials Technology Section is:
1. To make Europe the world's leading supplier of advanced materials.2. Innovation in materials technology driven by societal needs and contributing to improved
quality of life for European citizens.
3. Accelerated identification of opportunities, in close co-operation with partner industries
down the value chain, leading to materials with new and improved properties.
4. The ability to rationally design materials with tailored macroscopic properties based on
their molecular structure.
5. Products based on integrated complex systems available by improving and combining the
benefits of traditional materials and nanomaterials.
6. Convergence of market demand and technology development creating many opportunities
for new enterprises in the materials sector (e.g. SMEs).
The focus of the Materials Technology Section is to representatively reflect the views of the
European chemical industry, academia and society within the framework of sustainable chemistry by
the building of networks connecting all relevant stakeholders (industry, small and medium sized
enterprises, NGOs and academia) in the field of materials technology.
The Tasks of Materials Technology
A further task is to provide guidelines for realising the goals and challenges set by the EU to address
the societal needs of health care, information and communications technology (ICT), energy, quality
of life, citizen protection and transportation (mobility). Three sections were identified which are
discussed in further detail in this document:
• Knowledge priorities
o Fundamental understanding of structure property relationship
o Computational material sciences
o Development of analytical techniques,
o New production processes for the scale up of laboratory synthesis for improved
6.2.1 Fundamental understanding of Structure Property Relationship
The control and understanding of structure-property relationships (SPR) of molecular systems arecrucial for the intelligent processing of advanced materials. This is one of the unresolved problems in
materials research, particularly in the development of innovative synthetic strategies and
environmentally friendly chemical technologies. The SPR-based theoretical approach can provide
guidance and permit the reduction of costly experimental work. It is also very important for the
optimum production and process design. Over the last decade, this approach has provided an
increasingly important means of improving and optimising many kinds of materials from metals,
ceramics and superconductors to bio- and smart materials used for special applications like
microelectronics and bio-inspired catalytic systems.
a. Scope
There is a pressing industrial need to better understand complex physical-chemical and biological
phenomena relevant to the mastering and processing of multifunctional and eco-efficient materials,
providing the basis for developing novel materials with predefined physical, chemical or biological
characteristics. Industry and academia thrive in the field of connecting chemical structures with
fundamental and application properties. In many, albeit very specialized cases, the problems related
to SPR had been solved successfully. Nevertheless, in Materials Science, the SPR-based approach
has always been more qualitatively, and the efforts to gain a more general applicable insight have
collapsed due to the missing links in mathematics, high throughput experimentation and the
computation of complex data or the modelling of real materials. In all these disciplines, new features
were developed which through integration should have opened new opportunities to make materials
by design. Currently, modelling and simulation at the atomic and molecular levels can provide a basic
understanding of structure property relationship among chemical, microstructure and materialproperties, and can give us a better "unbroken chain of knowledge": from fundamental research to
applied research for materials. Breakthroughs will come not only from the new materials developed in
this field but also from the new computational approaches.
b. Research priorities
Grand-challenges that require theoretical and computational efforts include:
• The development of innovative synthetic strategies and new chemical reactions
• The modelling of catalysis and the rational design of new catalysts
• The design of advanced materials and composites (advanced high-strength/low weight
materials, etc.)• The modelling of interfaces and nano-interfaces
• The development of polymer nanostructures used as nanoreactors for metal nano-particle
formation
• The development of controlled surface-induced (template) copolymerisation processes
leading to various functional copolymers (in particular, copolymers capable of pattern
recognizing)
• The design of template nano-porous polymeric materials
A major change in design and manufacturing during the past 50 years has been the growth of
(computer) simulations as a design tool. There are enormous potential opportunities for modelling and
simulation to impact on numerous important industrial and scientific problems involving the materials
sciences, biotechnology and chemical technology. This opportunity lies in the ability to design,
characterize, and optimise materials before beginning the expensive experimental processes of
synthesis, characterization, processing, assembly and testing. With reliable de novo simulations on
real materials, industry could save enormously by cutting years off development cycles, while
achieving designs that are more efficient. Moreover, such de novo design would allow efficient
consideration of completely new materials as well as cost-efficient, flexible, clean and energy-efficient
(bio-) chemical processing with improved yields, reduced waste and maximum recycling.
a. Scope
Treating processes taking place on multiple length and time scales continues to challenge theorists. It
is possible to identify two coupled forefront directions in modelling and simulation: the control of
atomic and molecular interactions and processes at the quantum level and the treatment of ever more
complex systems. An ultimate goal is the union of these two directions. The potential benefits of
realizing this long-term vision include the ability to enhance chemistry research and innovation, in
particular in the areas of biotechnology, reaction and process design and materials science, thus
leading to breakthrough chemical product and process innovations and support an increasingly
sustainable, eco-efficient and competitive industry.
A central and basic challenge is clear: The need for the quantitative prediction of properties of matter
(both "soft" and "hard") is becoming more urgent, and the absence of such a possibility is increasingly
a barrier to progress in the modern industry ranging from molecular electronics to biotechnology. The
primary fundamental challenge is to uncover the elusive connections in the hierarchy of time andlength scales and to unravel the complexity of interactions that govern the properties and
performance of advanced materials. In terms of Computational Chemistry (CC), these challenges
translate into a more specific requirement: The coupled atomistic-continuum modelling approach is
one of the primary problems associated with hierarchical simulation of materials; namely, the accurate
understanding of physical/chemical processes and behaviour from the quantum level, to nanoscale, to
mesoscale and beyond, so that phenomena captured in simulations can be applied to real complex
systems without loss of intrinsic structural information.
b. Research priorities
• Development of new techniques and models aimed at bridging the length and time scales in
computer modelling.
• Development of simulation methods for systems with specific interactions.
• Development of analytical techniques for materials research via computer modelling.
• Development of large-scale scientific applications software and new user-friendly interfaces
for computational tools.
A primary contribution from a materials simulation initiative would be to develop a capability to reliably
predict the properties of real materials. To achieve this far-reaching goal one must be able to
- Putting light and power on any substrate , e.g. conformable solar cells
- Scale up by transferring patterning techniques from small scale lab processes to reel-to-reel
manufacturing technologies
Embedded devices and systems
- Sensing + actuating + responsive materials as basic principle
- Built-in and tiny energy supply for sensors
Scale up
- Software tools for optimising cost versus scale up for performance
- Scale up and replication methods
- Scale up 2020: smart synthesis + patterning = function by design (lay the groundwork today)- Inline and online nanometrology tools (linkage to analytics)
Development within contineous synthesis and analysis
Flexible Functional Materials (FFMs)
Flexible Electronics
Synthesis of ultra-pure materials, especially quantum materials and biological/organic/inorganic hybrid
materials
Understanding and manipulating reactions, nucleation, formation of materials
Hybrid materials manufacturing of hybrid products – i.e. High-throughput synthesis, molecular
engineering and fabrication of complex hybrid materialsBiomimetic synthesis of quantum materials
Sensing + actuating + responsive materials as basic principle
Energy supply for sensors...
Ecological effects, eco-efficiency and process safety
Crosslink to Reaction, Process and Design SRA:
2.1.5 Synthetic Concepts: Research Priorities and Roadmap
2.2.5 Catalytic Tramsformations: Research Priorities and Roadmap
2.3.5 Biotechnological Processing: Research Priorities and Roadmap
2.4.5 Process Intensification: Research Priorities and Roadmap
2.5.5 In Silico Techniques: Research Priorities and Roadmap
2.6.5 Purification and Formulation: Research Priorities and Roadmap
2.7.5 Plant Control and Supply Chain Management: Research Priorities and Roadmap
c. Key enablers, linkages, constraints
Table from R. Oliver to be included
Enabling (technologies?):
- Reel-to-reel technology, link printing and electronics
- Societal acceptance of new manufacturing processes
- Ecological effects, eco-efficiency and process safety
Regulations (e.g. EU REACH Legislation for materials SH&E testing and Extension of FDA PAT
process control/design)
REACH as challenge (use results to contribute to it)
Societal acceptance of new manufacturing processes
Linkages:
Material sciences and manufacturing technologies under SusChem may have strong links with the
ManuFuture ETP.
Health, safety and environmental issues of nanomaterials production are addressed by the Horizontal
Issues Group:
Our hybrid materials and hybrid manufacturing technology strategy if done well will overlap into
conventional end-user consumer product manufacturing. The ManuFuture initiative for FP7 covering
the latter area is transforming into an ETP, which could potentially become a competitor. We may
need to develop a ‘win-win@ partnership strategy for working with this ETP.
General Remarks of the team
- Our strategy focussed on the long-term and some of the enabling steps on the way needed to
realise a very specific vision
- Our strategy is a balanced portfolio approach incorporating long term, medium term and quick win
opportunities
- We did not test the viability of real step out technology opportunities in the catalyst and polymerfields (e.g. real controlled architecture polymers, nanopolydispersity, quantum effect polymers etc)
d. Highlights
The production and the processing of ULTRA-pure nanomaterials
Integration of nanomaterials into continuous production processes
Health, Safety and Environmental Issues of nanomaterial production
The development and production of large scale self assembled materials, systems and
In order to produce materials with the properties to solve the problems described above, extensive
research on both basic and applied subjects is needed.
Concerning the basic research, studied should be devoted to:
• The basis of molecular assembly in living systems. The biological cell functions because
of self-organisation, but what is the molecular mechanism? For instance, what is the exact
nature of the interactions between proteins and membranes? This should lead to molecular
understanding at such a level that accurate predictions can be made concerning the manner
of self-assembly of biomolecules, and the magnitude of their interactions.
• The basis of molecular recognition in living systems. If we understand how Nature’s
receptors function, we can design and produce them ourselves and use them to make
advanced sensors, for instance for the prevention and timely detection of serious diseases,
the detection of toxic agents and biohazards at low concentrations, etc.
Using the knowledge obtained in the basic studies, it should be possible to develop bio-based
materials for the following applications:
• Controlled release of drugs and nutrients. Bio-based materials are more biocompatible
and therefore they are ideal carriers that can be administered to human beings. Research
should be focused on tuning the properties of the materials, like biostability and –
degradability. New and better systems for the encapsulation of drugs and nutrients have to be
developed. Novel concepts are needed considering the responses to physicochemical
changes that trigger the release of the encapsulated compound. For instance, the pH near a
cancer cell is slightly lower than near healthy cells; a carrier could be made which responds to
these minute pH changes and releases the drug.
The controlled release of nutrients has been deliberately included here. Curing diseases is an
end-of-the-pipe solution and since the average age in Europe is increasing we cannot afford
to only focus on ill people: we have to prevent illness by the administration of health-improving, disease-preventing compounds. Also these compounds have to be carried and
released at the right target spot.
Another application of materials for controlled release will be personal care products.
• Bio-materials as healing dressings and/or scaffolds in tissue engineering. Some bio-
materials such as bacterial cellulose or chitosan are known as healing dressings. However,
the wound healing process can be increased or accelerated by simultaneous application of
bio-active compounds (nucleotides, oligopeptides and some lysophospholipids) which can act
as ligands for cell surface-bound receptors involved in signal transduction. The binding of
such compounds (or ligands) to these receptors can stimulate the proliferation of
keratinocytes, fibroblasts, endothelial cells and other cell types which are involved in the
wound healing process.
Research should be focused on the use of bio-materials as carriers for ligands stimulating
cell-membrane receptors and on controlled release of these compounds. One can also
consider chemical modification of existing bio-materials to obtain new generation of healing
dressings. Such modified bio-materials can be used not only as the healing dressings but also
as scaffolds for in vitro cell culture or tissue engineering. Tissue growth is strongly stimulated
when a suitable scaffold is present; when the mechanism is known by which the cells
recognise their solid substrate, one can devise biopolymers (which should be self-decaying in
a few months) which can act as a template for the new tissue.
• Biomaterials for artificial hybrid organs. It would be advantageous to develop biomaterials
with specific properties that protect transplanted allogenic or xenogenic cells against the
immune system of the recipient, avoiding the use of immuno-suppressants.
• Smart packaging materials. Up to now, the purpose of packaging is mainly to protect the
contents against dirt, contamination and/or oxidation. It would be useful to devise packaging
materials which act as sensors, e.g. materials which respond to the decay of meat. This
would be a more reliable indicator of food quality than a general indication of shelf life on the
packaging.
• Eco-friendly antifouling coatings. Attachments of various forms of sealife to boats are a
serious problem which is countered by the use of some toxic chemicals. This could be
circumvented if one could coat the vessels with a material which prevents the attachment of
sealife. This is an application where repellence of biological molecules is important; if we
understand the mechanism of molecular recognition, we can also design a system that will
repel cellular components. Anti-fouling is also an important topic in membranes which are
used for industrial separation processes.
• Smart materials (e.g. membranes, adsorbants) for separations of (bio)molecules. They
can be used for desalination or removal of pollutants from water, or the removal of malodours
from foodstuffs. Alternatively, they can be designed in such a way that the product of a
(bio)chemical reaction is removed from the reactor, in order to shift an unfavorable reaction
equilibrium to the desired side, or to separate a desired (bio)molecule from a diluted solution.
Nature is again a source of inspiration here: the cell membrane has many mechanisms for the
controlled complexation and transportation of (bio)molecules. The molecular recognition
phenomena involved should be utilized for the development of the smart bio-based separation
processes.
• Smart surfaces and matrices for the immobilisation of enzymes and receptors.
Enzymes are the ‘workhorses’ of industrial biotechnology and for various reasons it is
important to immobilize them to a solid support. At present enzyme immobilization is a more
or less random process; it would be advantageous to have surfaces and matrices whichinteract with the enzyme in such a way that the noncatalytic part of the enzyme is bound to
the surface, leaving the catalytic site open to the solution, in order to ensure optimum activity.
Also receptors should be immobilized in such a way that their recognition capacities are
unaffected. An example could be the use of structural polypeptides as spacers for
immobilization of different enzymes at distinct positions to allow sequential reactions, or
catalytic polymers. The developed materials and techniques should be applicable to nano-
sized channels and reactors. One could think of peptide nanotubes or natural silk textiles
(fibroin) as a solid supports for enzymes immobilisation.
• Self-cleaning surfaces. An application could be coatings for windows such that they are
cleaned by sunlight and rain, or stain-resistant coatings for clothes. Taking it one step further
one could think of self-repairing coatings, like in self-repairing paint. This relates again toliving systems, which are able to repair themselves using self-assembly; can this be
translated to “non-living” systems?
• Self-organising polymers, which could act as templates, or molds for electronic devices, or
as memories. As fabrication using conventional top-down approach reaches its theoretical
limit, bio-based bottom-up self-assembly could allow the fabrication of electronic devices in
the scale of 10-20 nm.
• Hard- and software for analysis, i.e. molecular recognition as an interface between the PC
and biological activity. The communication using electric signals is very common in biology
Emerging options on nanotechnology and –science will also play a key role within the vision of a
sustainable chemistry. Novel materials and material hybrids, which can serve in manifold fashion the
needs of society, are foreseeable for the expert already in a time frame between 2 -10 years from
now. Nanotechnology is an integrated part of practically all areas of interest. Some case studies to
illustrate the potential but also visions are listed below. The list is however far from being complete
and is not meant to predefine research fields. Already on the base of current knowledge, the market
for nanomaterials is estimated by analysts to be between 700 – 1000 Billion Euro in 2011 (Source:
Safe production and use of nanomaterials (Report)).
6.3.1 New chemistry for the worlds energy problems
The growing need for energy, together with the force to the European society to reduce its
dependence on oil and gas, is a foreseeable task which demands to develop in the nearest possible
future improved renewable energy systems. Among those, especially the development of cheap, light
weighted and flexible solar cells (“roll of”) will take strong profit of nanochemistry and material hybrids
technology.
• Thin nanostructured films of crystalline titania, deposited onto transparent polymer film
carriers and contacted with an organic counter electrode might become an easy-to-apply
commodity which serves energy needs without the necessity of larger instalments. Beyond
the directly foreseeable localized applications, energy cycles based on such novel chemical
systems will open a chain of evolutionary steps, one end of which might be light harvesting
stratospheric balloons to increase photonic efficiency even at our geographic altitudes.
• Direct photocatalytic splitting of water to hydrogen or “chemical photosynthesis” from CO2 to
liquid energy storage molecules as methanol, windmills which create liquid fuel instead of
electricity (a more efficient option for transport and storage from remote places) are visions ofa sustainable energy society with immediate impact. Such concepts however heavily rely on
nanochemical system solutions. The set-up of new energy cycles which are CO 2-neutral for
instance demand new energy transformation systems and storage media which are, without
exception, based on nanochemistry.
• Improved fuel cells rely on cheap and durable fuel cell membranes with nanoscopic channels
and a nano sized catalysts while their improved performance and efficiency will rely on a
better understanding of material properties on the nanoscale.
• Hydrogen (as one potential energy medium) for the fuel cell has to be transported in an
efficient and safe way, potentially adsorbed onto the large surfaces of nanoporous storage
materials.
• In addition, also flexible intermediary chemical conversion into a storage fluid, e.g. from
gaseous, ultra-low density hydrogen into methanol and back to hydrogen, carries enormous
promise to establish new energy cycles, especially for the decentral generation of energy at
remote places, such as off-shore windmills, solar cells in desert places or the stratosphere.
• For energy conservation, potential targets and markets are directly nearby. Nanoporous
polymer foams, in the ideal case for roll-on applications, will outperform the already existing
building insulations and help to save a majority of the energy currently used for the heating
and – a rapidly increasing future demand- cooling of buildings.