Final Activity Report Summary - TOK-CATA (Transfer of knowledge in design of porous catalysts)
The principal goal of the project was to further develop the competences of the host institution in the area of rational design of porous catalytic structures with well-defined surface and textural characteristics. The intention was to provide paths for combining the experience and knowledge in this field, accumulated in the institute of catalysis and surface chemistry of the Polish academy of sciences with the expertise of researchers from other organisations interested in these aspects of catalysis.
In view of the fact that porous materials represent the most important class of catalysts and catalyst supports, and their catalytic properties are intimately related to the nature of the pore size distribution, pore shape, grain morphology, the nature and the location of the active sites, the project focused on:
- design, synthesis and optimisation of porous materials based on zeolites, layered minerals and ordered mesoporous structures;
- control of the catalyst texture, grain morphology and insertion of active sites, targeted at application in processes of hydrocarbon transformations, fine chemicals synthesis, and abatement of air pollutants;
- creation of a progressive connection between theoretical modelling of porous structures and catalyst design.
The research was divided into three general scientific tasks following the type of scientific methods involved:
1. Design, synthesis and characterisation of porous catalytic materials (leader Prof. E. Serwicka). Studies involved development of multifunctional solids based on zeolites, mesoporous silicas, porous clay heterostructures, nanocast porous carbons, and aimed at control of acid-base, redox and / or textural properties. In particular, insertion of monomeric and clustered metal oxide moieties (e.g. GaOx, NbOx, heteropolyacids / salts) and immobilisation of macrocyclic organometallic species such as manganese metalloporphyrins and phosphoallyl complexes of ruthenium, served as a tool for generation of centres with required catalytic properties.
2. Catalytic testing (leader Prof. B. Sulikowski). Studies involved processes vital for the control of environment, directed at waste-reducing and energy-saving reactions, and dealing with fine chemical synthesis (e.g. abatement of volatile organic air pollutants, gas phase selective oxidation, oxidative dehydrogenation, isomerisation and alkylation of hydrocarbons, liquid phase oxidation).
3. Theoretical modelling (leader Prof. E. Broclawik). Studies involved the description/prediction of the catalytic properties of the active sites (e.g. determination of acidic properties and of redox potentials), modelling the host-guest interactions (e.g. Cu and Co in faujasite), and the assessment of the diffusion probabilities of reactant molecules (e.g. NO and CO) in various mesoporous frameworks.
Altogether 17 researchers took part in the project: 9 incoming and 8 outgoing. The progress of the project was monitored by the steering committee composed of the coordinator and task leaders. A mid-term assessment of the project was carried out at month 24, and a final assessment workshop at month 48. The project results were broadly disseminated. The members of the TOK-CATA team contributed 49 conference presentations (invited and keynote lectures, orals and posters).
The scientific results of the project were presented in 24 papers (already published or in print). The other 7 are either submitted for publication or in preparation. The visiting incoming researchers and the outgoing researchers delivered 23 lectures at internal seminars at ICSC and took part in two workshops for the staff of the host institution. All planned activities of the project have been accomplished in accordance with the schedule. The research and transfer of knowledge activities have led to important contributions to the knowledge-based design of new catalytic materials and development of energy-saving and non-hazardous chemical processes. On 29 September 2008, the final workshop of the project was organised with the aim to and evaluate its achievements in major research tasks and a report based on the outcome of the workshop was prepared.
In view of the fact that porous materials represent the most important class of catalysts and catalyst supports, and their catalytic properties are intimately related to the nature of the pore size distribution, pore shape, grain morphology, the nature and the location of the active sites, the project focused on:
- design, synthesis and optimisation of porous materials based on zeolites, layered minerals and ordered mesoporous structures;
- control of the catalyst texture, grain morphology and insertion of active sites, targeted at application in processes of hydrocarbon transformations, fine chemicals synthesis, and abatement of air pollutants;
- creation of a progressive connection between theoretical modelling of porous structures and catalyst design.
The research was divided into three general scientific tasks following the type of scientific methods involved:
1. Design, synthesis and characterisation of porous catalytic materials (leader Prof. E. Serwicka). Studies involved development of multifunctional solids based on zeolites, mesoporous silicas, porous clay heterostructures, nanocast porous carbons, and aimed at control of acid-base, redox and / or textural properties. In particular, insertion of monomeric and clustered metal oxide moieties (e.g. GaOx, NbOx, heteropolyacids / salts) and immobilisation of macrocyclic organometallic species such as manganese metalloporphyrins and phosphoallyl complexes of ruthenium, served as a tool for generation of centres with required catalytic properties.
2. Catalytic testing (leader Prof. B. Sulikowski). Studies involved processes vital for the control of environment, directed at waste-reducing and energy-saving reactions, and dealing with fine chemical synthesis (e.g. abatement of volatile organic air pollutants, gas phase selective oxidation, oxidative dehydrogenation, isomerisation and alkylation of hydrocarbons, liquid phase oxidation).
3. Theoretical modelling (leader Prof. E. Broclawik). Studies involved the description/prediction of the catalytic properties of the active sites (e.g. determination of acidic properties and of redox potentials), modelling the host-guest interactions (e.g. Cu and Co in faujasite), and the assessment of the diffusion probabilities of reactant molecules (e.g. NO and CO) in various mesoporous frameworks.
Altogether 17 researchers took part in the project: 9 incoming and 8 outgoing. The progress of the project was monitored by the steering committee composed of the coordinator and task leaders. A mid-term assessment of the project was carried out at month 24, and a final assessment workshop at month 48. The project results were broadly disseminated. The members of the TOK-CATA team contributed 49 conference presentations (invited and keynote lectures, orals and posters).
The scientific results of the project were presented in 24 papers (already published or in print). The other 7 are either submitted for publication or in preparation. The visiting incoming researchers and the outgoing researchers delivered 23 lectures at internal seminars at ICSC and took part in two workshops for the staff of the host institution. All planned activities of the project have been accomplished in accordance with the schedule. The research and transfer of knowledge activities have led to important contributions to the knowledge-based design of new catalytic materials and development of energy-saving and non-hazardous chemical processes. On 29 September 2008, the final workshop of the project was organised with the aim to and evaluate its achievements in major research tasks and a report based on the outcome of the workshop was prepared.