Christophe Vande Velde associate professor

Research Christophe Vande Velde

Research team

Expertise

My expertise is situated in organic synthesis and structure determination, in the framework of structure-activity relationships, physical organic chemistry and catalysis. Techniques available in-house are single crystal diffraction and thermal techniques (differential scanning calorimetry (DSC), thermogravimetric analysis (TGA) and reaction calorimetry ) Research is currently situated in three projects: 1. Synthesis and characterisation of scaffolds for catalyst immobilisation 2. Design of a continuous crystallisation reactor 3. Depolymerisation of PUR for reuse of the recovered fractions

Design for circularity: fluorescent tagging of polyols to aid polyurethane recycling. 01/11/2024 - 31/10/2026

Abstract

Polyurethane (PU) foams are all around us, from our walls to our beds and our cars. Only 20% of this PU is recycled, primarily into inferior products. Polyurethane is a heteropolymer of a polyol and a diisocyanate, mostly forming networks. It is well-understood that these monomers can be cleaved using various chemical recycling techniques, but only pilot plants using mattresses as feedstock are currently operational. To limit the complexity and avoid the difficulty of end-of-pipe purification, the foams should be sorted prior to recycling. Sorting based on isocyanate type can be done using near-infrared identification, due to limited isocyanates industrially used. However, the polyols used in PU are very diverse, limiting sorting possibilities. To enable sorting based on polyol, I propose to tag the polyols with a spectroscopically detectable tag. The tags proposed in this research are fluorophores. This research will provide a proof-of-concept that fluorescent tags can be attached to polyols and used to identify that polyol in PU foam. This will be done by synthesising functionalised tags, comparing different methods of attachment, followed by investigating the properties, stability and recyclability of foam with tagged polyols. This will provide applicable basic tag structures and an optimised screening method to find more tags that are suitable for PU foam. After implementation, this will lead to higher quality recycled polyols and an increased foam circularity.

Researcher(s)

Research team(s)

Project type(s)

  • Research Project

Materials and life sciences single crystal x-ray diffraction structure determination and crystal screening platform. 01/05/2024 - 30/04/2028

Abstract

(Bio)chemists think about molecules in terms of connectivity and spatial structure. These concepts match well with the actual structure of molecules on the nanoscale. Based on irradiation with a wavelength in the order of magnitude of the interatomic sizes (x-rays) in a periodically ordered structure (a crystal), from the diffraction pattern, the underlying structure can be calculated. Since the '80s this is a standard technique for experimentally visualizing molecules. The importance of it is impossible to overestimate – a majority of the 3D information about atoms and molecules, from molecules consisting of a few atoms to proteins and even complete cell organs like ribosomes, stems from x-ray diffraction measurements. The technique is of incredible importance both for the unambiguous characterization of newly synthesized small molecules, including their stereochemistry, as well as for macromolecules like proteins, and their complexes with pharmacologically active compounds. This allows to elucidate drug and disease mechanisms. This project concerns the purchase of a modern x-ray diffractometer, which will allow to obtain this information faster, with better quality, close to the research involved, and in-house. This will lead to a substantial acceleration within these research topics, to new cooperations both within and outside UAntwerp, and to the initiation of new research, by making this technique broadly available and easily accessible.

Researcher(s)

Research team(s)

Project type(s)

  • Research Project

Tagging for circularity (T4C): Fluorescent tagging of polyols to aid PU foam sorting 01/01/2024 - 31/12/2025

Abstract

Polyurethane (PU) foams are a key constituent in mattresses. To date, only 20% of this PU is (mechanically) recycled, primarily into inferior products. Polyurethane is a heteropolymer of a polyol and a diisocyanate, mostly forming networks. The polyols used are can be very diverse, even within a single mattress foam formulation. It is well-understood that these monomers can be cleaved using various chemical recycling techniques, but only pilot plants using mattresses as feedstock are currently operational. To limit the complexity and avoid the difficulty of end-of-pipe purification, the foams should be sorted prior to recycling. Sorting based on isocyanate type can be done using near-infrared identification, due to limited isocyanates industrially used. However, the polyols used in PU are very diverse, limiting sorting possibilities. To enable sorting based on polyol, we propose to tag the polyols with a spectroscopically detectable tag. The tags proposed in this research are fluorophores. This research will provide a proof-of-concept that fluorescent tags can be used to identify polyols in a PU foam. This will be done by mixing tags into polyols, analysing how functional the tag is in the polyol, followed by making a foam out with these tagged polyols and testing the detectability of the tags in a foam. Further, an in-dept investigation of the properties of the tagged foam and an evaluation of the recyclability of foam with tagged polyols is conducted. This will provide applicable basic tag structures and an optimised screening method to find more tags that are suitable for PU foam. After obtaining a working proof-of-concept, the technology will be patented and PU additive manufacturers will be approached for scale up and bringing it to market. After implementation, sorting of foams based on the polyol can become trivial. With this sorting capabilities, better recycling strategies can be implemented such as justified decisions which foam will be mechanical recycled and which chemical. This will lead to higher quality (virgin-grade) recycled polyols and an increased foam circularity.

Researcher(s)

Research team(s)

Project type(s)

  • Research Project

Non-photochemical laser-induced nucleation – high throughput study towards elucidation of the underlying mechanism. 01/01/2023 - 31/12/2026

Abstract

Nucleation - the start of crystal growth - is a key concept in making solid materials. Since an important part of solid state properties is related to crystal size and shape, it is there that reliable and consistent nucleation is of crucial importance, to make sure that any subsequent crystallization process is reproducible. Variations in nucleation behavior of e.g. a cooling solution can result in a batch of material with completely different properties. In 1996 an unexpected observation was made of crystals starting to grow in solutions that had been irradiated with a powerful laser pulse - non-photochemical laser induced nucleation (NPLIN). Ever since, researchers have been trying to chart this phenomenon and the parameters that influence it, but working reproducibly with supersaturated solutions is difficult, and hence it is even harder to obtain statistically relevant data that demonstrate clear correlations between a given parameter and NPLIN. This project proposes a radically new approach to this problem: a micro-flow reactor, in which very large numbers of tiny liquid packets can be sent past the laser focus, in order to collect an unprecedentedly large number of data points in a parameter study. This new approach will enable the identification of the underlying mechanism(s) of NPLIN, which to date have remained elusive.

Researcher(s)

Research team(s)

Project type(s)

  • Research Project

Cleaving Rubbers: A (Dis)Solution to the Emerging Tyre Waste Problem. 01/11/2022 - 31/10/2026

Abstract

Rubbers, although widely used in society, are traditionally difficult to recycle. Most commercial recycling techniques are restricted to granulation, although the products of this process have low value and are under environmental scrutiny. State-of-the-art devulcanisation and/or pyrolysis of rubbers are associated with very high costs, and lead to an ill-defined array of products. However, for a long time tyre, degradation studies have unknowingly shown us a different way of depolymerisation, that is ozonolysis. For the first time, its potential as a recycling technique has been identified instead of being a nuisance to be avoided. Ozonolysis will be used as a novel, sustainable approach to potentially derive telechelic resins from rubber waste. In this project the various challenges regarding mass transfer, characterisation, work-up and scale-up will be overcome in order to provide recycled resin samples and recovered carbon black to industrial stakeholders, while establishing a functional lab scale reactor setup to attain this goal. Furthermore, the obtained resins will be characterised and employed in final demo-applications of new polycondensates as well as adhesives. Starting from recalcitrant (sometimes bio-based) waste, this green and relatively cheap oxidation method can therefore yield products with interesting, new properties, and at the same time off-set fossil-based source materials.

Researcher(s)

Research team(s)

Project type(s)

  • Research Project

Green and Sustainable Synthesis of Mesoporous Metal-Organic Frameworks to Bring New Life to Hydrogen-Bond Donating (HBD) Organocatalysts as Biomimetic Platforms. 01/11/2022 - 31/10/2025

Abstract

Most chemical reactions in the cell have high activation energies, and without enzymes, they would not occur with the required speed for biological processes. Hydrogen bond donors (HBD) as Lewis-acid-catalysts play a key role in many enzymatic reactions, both in orienting the substrate molecules and lowering barriers to reaction. Their tendency to undergo self-quenching however, decreases both solubility and reactivity. Supramolecular chemistry under the form of MOFs offers a promising biomimetic platform for immobilizing these catalytically active sites, and features defined structure and high porosity. Previous attempts have been less than successful due to limited substrate scope and small pore size, instability and complex synthesis. Here, we propose a new method with three goals: 1) pre-design large pore MOFs to lock in the desired porosity and stability, 2) extend linker size to achieve large pores by using direct arylation reactions to decrease synthetic complexity, and 3) propose several alternatives to add (combinations of, as well as chiral) HBD catalysts to the MOF framework. These materials can be used as templates for metal/carbon hybrids with unprecedented porosity. Finally, all materials will be tested for catalytic activity. This modular and concerted synthetic approach towards heterogeneous (organo)catalysts will re-start a direction of research in which the spectacular advantages offered by addressing the main issue with existing HBD catalysts are obvious.

Researcher(s)

Research team(s)

Project type(s)

  • Research Project

Complete recycling of rigid polyurethane foam waste for replacing fossil PU feedstock. 01/08/2022 - 31/07/2026

Abstract

This Baekeland project will lead to a novel method of recycling rigid polyurethane foams in a close collaboration between SurePUre (Triple Helix BV) and the University of Antwerp, in the form of a shared doctoral trajectory. Current processes recover only a single-phase mixture, which are low-grade polyols with limited utility. There is, however, a strong need to replace today's petrochemical PU feedstock. This project aims at recycling the main PU constituents separately, and therefore creating more value to a circular economy.

Researcher(s)

Research team(s)

Project type(s)

  • Research Project

NCO-Cycle - closing the loop for isocyanate use in polyurethanes. 01/10/2021 - 30/09/2025

Abstract

Polyurethane (PUR) as a thermohardening polymer is difficult to recycle - two current techniques are mechanical recycling (cutting and rebonding) and up to a certain limit also chemical recycling, in which the polyol component is recovered through hydrolysis, alcoholysis or glycolysis. The isocyanate component, however, reacts to amines, for which the current state of the art is to incinerate them. In this project, an alternative route is researched to generate isocyanates from this remaining fraction, without use of toxic or environmentally unfriendly reagents, to close the material loop regarding the use of polyurethanes in a sustainable manner.

Researcher(s)

Research team(s)

Project type(s)

  • Research Project

InSusChem - Consortium for Integrated Sustainable Chemistry Antwerp. 15/10/2020 - 31/12/2026

Abstract

This IOF consortium connects chemists, engineers, economic and environmental oriented researchers in an integrated team to maximize impact in key enabling sustainable chemical technologies, materials and reactors that are able to play a crucial role in a sustainable chemistry and economic transition to a circular, resource efficient and carbon neutral economy (part of the 2030 and 2050 goals in which Europe aims to lead). Innovative materials, renewable chemical feedstocks, new/alternative reactors, technologies and production methods are essential and central elements to achieve this goal. Due to their mutual interplay, a multidisciplinary, concerted effort is crucial to be successful. Furthermore, early on prediction and identification of strengths, opportunities, weaknesses and threats in life cycles, techno-economics and sustainability are key to allow sustainability by design and create effective knowledge-based decision-making and focus. The consortium focuses on sustainable chemical production through efficient and alternative energy use connected to circularity, new chemical pathways, technologies, reactors and materials, that allow the use of alternative feedstock and energy supply. These core technical aspects are supported by expertise in simulation, techno-economic and environmental impact assessment and uncertainty identification to accelerate technological development via knowledge-based design and early stage identified key research, needed for accelerated growth and maximum impact on sustainability. To achieve these goals, the consortium members are grouped in 4 interconnected valorisation programs focusing on key performance elements that thrive the chemical industry and technology: 1) renewable building blocks; 2) sustainable materials and materials for sustainable processes; 3) sustainable processes, efficiently using alternative renewable energy sources and/or circular chemical building blocks; 4) innovative reactors for sustainable processes. In addition, cross-cutting integrated enablers are present, providing expertise and essential support to the 4 valorisation programs through simulation, techno-economic and environmental impact assessment and uncertainty analysis.

Researcher(s)

Research team(s)

Project type(s)

  • Research Project

Three-phase recycling by isolation of distinct polyols from complex flexible PU foams. 01/05/2023 - 30/04/2024

Abstract

This project aims to recycle post-industrial polyurethane (PU) waste, i.e., production waste, scrap and/or poor-quality PU containing more than one polyol as a three-phase system, which we have recently observed for the first time in our laboratory. Using this technology, different polyols can be recovered separately with higher purity than the current state of the art chemical recycling. Currently, this post-industrial waste is either incinerated or, at best, mechanically recycled into low-value products. With our strategy, all polyols will be fully recovered and reused in foam production. In the medium term, this should lead to small modular polyol recovery units. In addition, the project will produce amines in a one-step recycling process and separate them in a less energy-intensive process. An important operational objective is to apply this concept to different types of PU waste containing more than one polyol from different production units.

Researcher(s)

Research team(s)

Project type(s)

  • Research Project

Recycling Latex foam and Rubber as a Green Feedstock through Depolymerisation and Functionalization by Ozonolysis (RecycLAT) 01/12/2021 - 30/11/2024

Abstract

The project concerns chemical recycling of vulcanized latex foams (i.e. foam rubbers) through a novel method to generate smaller telechelic oligomers, making a start on elaborating possible reaction conditions and the characterization of the products.

Researcher(s)

Research team(s)

Project type(s)

  • Research Project

Control of Nucleation and Crystallization of Oligopeptides in Flow (NuCryPept-control). 01/10/2021 - 30/09/2023

Abstract

The NuCryPept-control project aims to create tools for the simplification of parameter-space exploration in the development of oligopeptide nucleation and crystallization. We are developing precise and accurate control technologies for various parameters in the crystallization process (pH, composition, concentration, temperature) that not only work on microscale, but in addition are scalable, so that the same technologies used for screening can also be applied in manufacturing to unburden, through crystallization, the purification process of biomacromolecules, which is currently expensive and inefficient.

Researcher(s)

Research team(s)

Project type(s)

  • Research Project

MOFCat – large pore MOFs as transition metal catalyst scaffolds. 01/09/2021 - 31/10/2022

Abstract

This project concerns the synthesis of linkers for MOFs and the MOFs themselves, to be used as transition metal catalyst scaffolds. A number of organic molecules with specific topicity are synthesized to form MOFs with channel-like pores in combination with certain metals or metal-oxygen clusters. These MOFs are suitable for pore-expansion by lengthening the linkers, for which a number of strategies are proposed in the project.

Researcher(s)

Research team(s)

Project type(s)

  • Research Project

ChemReRub Phase 2: Lab scale reaction and proposal for downstream processing/scale-up of reactor/downstream processing GRT at scale/polymerization development of products. 12/08/2021 - 31/03/2023

Abstract

ChemReRub is a project that aims to recycle natural and synthetic rubber, a recalcitrant waste material of partly natural origin, into high-value chemical feedstock for use in various applications, in order to get away from the classical strategy of energy recuperation.

Researcher(s)

Research team(s)

Project type(s)

  • Research Project

Two-step complete chemical recycling of polyurethane waste. 01/05/2021 - 30/04/2022

Abstract

This project aims at the complete recycling of polyurethane waste, by a two stage procedure in which both polyols and isocyanates are recovered. With respect to state-of-the-art technologies and concurrent research initiatives, this project targets production of isocyanate fractions from waste via a shorter route, without prior production of amines. An important operational goal is the development of a new lab scale custom reactor setup, next to the testing on actual polyurethane waste samples.

Researcher(s)

Research team(s)

Project type(s)

  • Research Project

Zinc-co-Sink, dual pathway for safe rubber granulate recycling. 01/01/2021 - 01/05/2023

Abstract

This project is being carried out by the University of Antwerp and VITO, and supported by the Belgian Road Research Centre (BRRC). Two possible solutions are being investigated to prevent the release of zinc from rubber granules; on the one hand by coating the rubber granules (UAntwerp) and on the other hand by trapping the released harmful components in a sorbent before they are released into the environment (VITO). Possible solutions can, be developed further at a later stage (phase II) and can be used for many applications of rubber granulates where environmental problems play a role. In the follow-up research, attention will also be paid to the recyclability and durability of both solutions (influence of ageing and/or exceptional weather conditions).

Researcher(s)

Research team(s)

Project type(s)

  • Research Project

ChemReRub Phase 1. 29/09/2020 - 31/03/2021

Abstract

This project provides an innovative, new and different way of recycling post-consumer rubber, not as granulates, but as valuable feedstock for the production of recyclable polymers. Two important contributors in Flanders are recycled tires and latex mattresses. The purpose of this project is to bring the recycling technology from initial concept stage to a laboratory demonstrated process with poly-diene rubbers being recycled into starting materials for recyclable condensation polymers, preferably with ground rubber tire material as feedstock.

Researcher(s)

Research team(s)

Project type(s)

  • Research Project

Recycling Latex foam and Rubber as a Green Feedstock through Depolymerisation and Functionalization by Ozonolysis (RecycLAT). 01/07/2020 - 31/12/2021

Abstract

Natural rubber is a biopolymer with many applications, but its recycling and reuse are an especially challenging problem. Until now, the most prevalent waste treatment method for rubber is either burning or landfills. Devulcanization of the rubber, necessary for for its reuse as an elastomer, is extremely difficult. Use of rubber as a green feedstock, after a useful life as an elastomer, has hardly been explored. Ozonolysis is a polyvalent technique that finds application in cutting C=C double bonds in a polymer and creating terminal functionalities where the chain has been cut. In this way, it must be possible to depolymerize natural rubber to use as feedstock for other condensation polymers that are easier to recycle than rubber itself. This, then, is the threefold goal of this project: 1. Depolymerization of rubber – latex foam and ground rubber tire- into oligomeric materials with terminal functionalization, and researching the influence of the process parameters of ozonolysis on the properties and chain lengths of these materials. 2. Researching the fate during this process of the cross-links that are created in natural latex during vulcanization. 3. Using the example of rubber as a case in the development of LCA and TEA tools, and provide real-time feedback from these studies to this project with regard to the use of certain chemicals, solvents and the general technical-economic feasibility of the process during its development.

Researcher(s)

Research team(s)

Project type(s)

  • Research Project

New models for efficiency in pharmaceutical development. 01/02/2020 - 31/01/2021

Abstract

In this project iPRACS collaborates with the crystallization group at Janssen Pharmaceutica to study novel ways of nucleation in supersaturated systems, that can be applicable to pharmaceutically active compounds, in order to better control their solid forms.

Researcher(s)

Research team(s)

Project type(s)

  • Research Project

Versatile X-ray powder diffraction platform for materials science. 01/01/2020 - 31/12/2021

Abstract

The proposal concerns versatile instrumentation for determining crystallinity, unit cell size and structure of organic, metal-organic and inorganic materials. Several groups at UAntwerp have a pressing need for fast, reliable, X-ray diffraction data, at low angles to determine large unit cells, and preferably in 2D to determine sample homogeneity. The envisaged machine has a Cu K alpha source, horizontal sample platform (Bragg-Brentano geometry), capability for measuring down to low angles (theta = 0.5°), and a fast and sensitive 2D solid state area detector. It will be used for materials research and characterization in inorganic porous materials (zeolites, templated silicas and titanias), metal organic materials (crystalline metal-organic frameworks), organic materials (fatty acids, PUR building blocks) and identification and characterisation of pigments for study and conservation of old masters' paintings. In addition, through the use of the PDF (probability density punction), the machine can generate experimental information through x-ray scatterineg on average short-range order in non-crystalline materials such as glasses and amorphous powders.

Researcher(s)

Research team(s)

Project type(s)

  • Research Project

Synthesis of novel large-pore MOFs as tunable catalytic nanoreactor. 01/11/2019 - 31/10/2023

Abstract

Everybody today has heard about the increasing need of having cheap, environmentally sustainable and green processes. The world is full of these high-sounding and fancy terms, but how to achieve them in practice? There are several ways to improve a chemical process, but most often studies are based on catalysts: the "accelerators" of chemical reactions. Catalysts are expensive, suffer from low stability and are difficult to separate/reuse, but their role is vital for pharmaceutical, agro and fine chemical industries. The immobilization of the catalysts on a support can solve all the mentioned problems. We propose a scaffold which has never been used before: Metal Organic Frameworks (MOFs). MOFs are networks made by ion metals and rigid linkers. Under appropriate conditions these two parts can assemble a porous material on which we can immobilize the catalysts, making possible their recovery/reuse at the end of the process. The advantages of our scaffolds are immense: uniform, reproducible and controllable manufacture and the possibility to completely engineer the linkers. As a consequence, we can control the whole network structure: we can personalize it, giving new properties to the walls, and tuning the pore size. In other terms: modular haute couture, for the need of the mentioned chemical industries. If you were an industrial stakeholder, wouldn't this sound great to you?

Researcher(s)

Research team(s)

Project type(s)

  • Research Project

CycloPUR – Fundamental insights in reversible polymerization of polyurethanes. 01/07/2019 - 31/12/2020

Abstract

Polyurethanes (PU) are versatile group of polymers, being used increasingly in diverse applications; for instance in mattresses, building foams, automotive and adhesives. PU is a cross-linked polycondensation polymer, in which polyols (polyhydroxyl alcohols) react with highly reactive diisocyanates. As a thermoset (they do not have a melting point), PU is difficult to recycle, and the current state-of-the-art mechanical recycling results in low-value materials. Nonetheless, chemolysis (chemical depolymerization) has been explored since decades as an alternative, yet was only commercially developed for polyol recovery. The absence of a working technology for recovery of diisocyanate derivatives is largely due to the complexity of these molecules, and a lack of knowledge regarding their chemical fate in a chemolysis process. The proposed STIMPRO aims at understanding how various isocyanate derivatives are formed, and how they react upon alcoholysis, by experiments using model monomers. This knowledge, together with experimental and computational insights in mixing/solubility, will be exploited to create a bottom-up chemolysis process for model polyurethanes. The outcome of the proposed study will be used in subsequent chemolysis of realistic waste polyurethanes, with recovery of both monomers as significant technological novelty. Additionally, the resulting knowledge may be transferred in the future formulation of new polyurethanes with biobased alternative monomers

Researcher(s)

Research team(s)

Project type(s)

  • Research Project

Continuous Laser-induced Nucleation of Crystallization. 01/04/2018 - 31/03/2019

Abstract

Precise nucleation leading to controlled growth, is the most critical step in porces-design for products with a precise particle size distribution and well-defined polymorphism (extremely important in e.g. the pharmaceutical sector). The literature indicates that the use of intense laser pulses can lead to controlled nucleation, but the available proof is statistically insufficiently meaningful, andf the scope of the phenomenon remains unexplored. This project intends to design and build a continuous thermostatted flow reactor for experiments in which nucleation can be studied continuously with high throughput and under irradiation with strong laser light. Experience in building flow reactors is present in ART, and the laser setup is available with the Experimental Condensed Matter Physics.

Researcher(s)

Research team(s)

Project type(s)

  • Research Project

New functionalized MOFs for catalytic nanoreactor applications. 01/11/2015 - 31/10/2019

Abstract

This project aims to develop so-called "nanoreactors", which can be seen as an approach to heterogenization of homogeneous catalysis. The key idea is to develop self-assembling large-pore Metal Organic Frameworks (MOFs) via modification/optimization of their organic linkers. Starting from already existing networks, the organic linkers will be further functionalized at the side chains in order to couple them with a catalyst. The catalytic activity of the resulting nanoreactors will be demonstrated and their performance compared with the native catalyst in a homogeneous reaction mixture. As the reactors are crystalline, they have very well-defined pore shapes and sizes, the pores are continuous throughout the structure, and very controllable, reproducible and characterizeable. The project bridges the spearheads of "Materials Characterization" and "Sustainable Development".

Researcher(s)

Research team(s)

Project type(s)

  • Research Project

"Smart" phosgene analogues: Synthesis and use. 01/09/2015 - 31/08/2017

Abstract

This project aims the development of "smart" phosgene analogues from CO2. These substituted ureas are safe analogues of phosgene which can be transformed into useful chemicals and materials under mild reaction conditions.

Researcher(s)

Research team(s)

Project type(s)

  • Research Project

SusChemA. 01/01/2015 - 31/12/2020

Abstract

This project represents a research contract awarded by the University of Antwerp. The supervisor provides the Antwerp University research mentioned in the title of the project under the conditions stipulated by the university.

Researcher(s)

Research team(s)

Project type(s)

  • Research Project

Easy-to-synthesize organic linkers for the 2D extension of MOF nanoreactors 01/07/2014 - 31/12/2015

Abstract

The projects aims to construct functionalisable nanoreactors in the form of metal organic frameworks with easy-to-synthesize benzylidene aniline organic linkers. Functions to be included in the linkers are transition metal catalysts, which due to the large pore size of the framework and the resulting high surface/volume ratio, will have an activity comparable to homogeneous catalysts.

Researcher(s)

Research team(s)

Project type(s)

  • Research Project

Dual PEM ChiralIR-2X : the first second generation VCD spectrometer in Europe as a basis for the "Antwerp - Ghent - BioTools European Centre on Vibrational Optical Activity". 01/09/2010 - 31/08/2011

Abstract

The planned start-up of the "Antwerp ¿ Ghent ¿ BioTools European Centre on Vibrational Optical Activity" is the subject of mutual non-disclosure agreements between BioTools and the participating Flemish Universities. Sending information about the Centre to 3rd parties should not infringe the non-disclosure agreement with BioTools, nor the philosophy of this agreement.

Researcher(s)

Research team(s)

Project type(s)

  • Research Project

Calorimetry and upscaling of organic opto-electronic materials. 01/01/2010 - 31/12/2011

Abstract

The proposed project studies the upscaling of three reactions for the synthesis of PPV oligomers with proven opto-electronic properties. The goal of the project is to determine, from a process point of view, the most suitable product and synthesis method from three possible candidates. In addition, a method will be optimized to determine heats of reaction based on quantum chemical calculations, and from the calorimetric experiments fundamental insights into the mechanisms of the reactions that will be studied will emerge.

Researcher(s)

Research team(s)

    Project type(s)

    • Research Project

    Charge density studies on novel organometallic semiconductors and extension of a theoretical pseudoatom database. 01/10/2006 - 30/09/2007

    Abstract

    The aim of this project is to acquire knowledge of and experience in the use of experimental charge density methods in the field of structural chemistry through original research.

    Researcher(s)

    Research team(s)

      Project type(s)

      • Research Project

      Synthesis and structure of oligomeric sensor-materials : a new approach. 01/10/2004 - 30/09/2006

      Abstract

      In this project three novel classes of materials for conductometric gas sensors of which quantum chemical calculations have indicated favourable qualities, such as high stability and good manufacturing properties,will be synthesised and tested in practice. It concerns materials based upon (i) 2,6-diphenyl-1,5-diaza-1,5-dihydro-s-indaceen, (ii) arylenevinylene trimers with N-methylpyrrole as the central ring, and (iii) phenylene-nickel(II) complexes. Several synthetic approaches will be investigated for each of these groups of compounds.

      Researcher(s)

      Research team(s)

        Project type(s)

        • Research Project

        Synthesis and structure of oligomeric sensor-materials : a new approach. 01/10/2002 - 30/09/2004

        Abstract

        In this project three novel classes of materials for conductometric gas sensors of which quantum chemical calculations have indicated favourable qualities, such as high stability and good manufacturing properties,will be synthesised and tested in practice. It concerns materials based upon : i)2,6-diphenyl-1,5-diaza-1,5-dihydro-s-indaceen ii)arylenevinylene trimers with N-methylpyrrole as the central ring iii)phenylene-nickel(II) complexes Several synthetic approaches will be investigated for each of these groups of compounds.

        Researcher(s)

        Research team(s)

          Project type(s)

          • Research Project

          A search for more performant arylene-vinylene oligomers. 01/10/2000 - 30/09/2001

          Abstract

          Researcher(s)

          Research team(s)

            Project type(s)

            • Research Project