CASTECH
Lead Research Organisation:
Queen's University Belfast
Department Name: Sch of Chemistry and Chemical Eng
Abstract
Mankind faces great challenges in providing sufficient supplies of renewable energy, in protecting our environment, and in developing benign processes for the chemical and pharmaceutical industries. These urgent problems can only be solved by applying the best available technology, but this requires a solid foundation of fundamental knowledge created through a multidisciplinary yet focussed approach. Catalysis is an essential enabling technology because it holds the key to solving many of these problems. CASTech aims to build on the science and engineering advances developed in previous collaborative programmes involving the main participants. Specifically, new core competencies for the investigation of reactions in multiphase systems will be developed. These will include MR imaging techniques (University of Cambridge, UCam); computational fluid dynamics (UCam); spectroscopic methods (QUB); SSITKA (QUB); flow visualisation and particle tracking (PEPT) (University of Birmingham, UBir); theoretical calculations (University of Virginia, UVa; QUB) for liquid phase processes. An enhanced time resolution fast transient and operando spectroscopy capability will be developed for investigating the mechanisms and the nature of the active sites in heterogeneous catalytic gas phase reactions (QUB). These core competencies will be applied to investigate the activation of saturated alkanes, initially building on our recent success in oxidative cracking of longer chain alkanes.We propose to develop our experimental and modelling capabilities with the objective of providing quantitative data on how to enhance the performance of a catalytic system by understanding and controlling the interaction between the solvent(s), the substrates and the catalyst surface. We aim to be able to describe the structure of liquids in catalytic systems at multiscale from the external (bulk) liquid phase to inside the porous structure of the catalyst and at the catalyst surface. The research will integrate new experimental probes and complementary theoretical approaches to help us understand liquid structures and we will use this information in collaboration with our industrial partners to address specific technical challenges.Bio-polymeric materials, e.g. cellulose and lignin, have the potential to provide functionalised building blocks for both existing and novel chemical products. Our ultimate aim is to provide novel and economically viable processes for the conversion of lignin into high value-added products. However, by starting with the conversion of lignosulphonates into vanillin and other higher value chemicals we will develop not only new processes but also the core competencies required to work with more complex fluids.Biogas (CH4 + CO2) can be produced from many different renewable sources but capturing and storing the energy is difficult on a small distributed scale. We propose to investigate a new, economic, down-sized engineering approach to the conversion of methane to dimethylether. This will be achieved by reducing the number of unit operations and developing new catalysts capable of performing under the more extreme temperature conditions that will be required to make the process economic.The drive to use catalysts for cleaner more sustainable chemistry needs also to address the inherently polluting and unsustainable process of catalyst manufacture itself. We will investigate the sustainable production of supported catalysts using electrochemical deposition of the metal. This method bypasses several conventional steps and would generate very little waste. In all these Grand Challenges there will be close collaboration between all the academic and industrial groups.
Organisations
- Queen's University Belfast (Lead Research Organisation)
- QUEEN'S UNIVERSITY BELFAST (Project Partner)
- Robinson Brothers (United Kingdom) (Project Partner)
- Sasol Technology Research Laboratory (Project Partner)
- Borregaard (Norway) (Project Partner)
- Johnson Matthey (United Kingdom) (Project Partner)
- Forestry Commission Research Agency (Project Partner)
Publications
Abdelkader A
(2013)
Steam reforming of ethanol over Co3O4-Fe2O3 mixed oxides
in International Journal of Hydrogen Energy
Rozmyslowicz B
(2015)
Selective hydrogenation of fatty acids to alcohols over highly dispersed ReO /TiO2 catalyst
in Journal of Catalysis
Akpa B
(2012)
Solvent effects in the hydrogenation of 2-butanone
in Journal of Catalysis
Pereda-Ayo B
(2012)
Regeneration mechanism of a Lean NOx Trap (LNT) catalyst in the presence of NO investigated using isotope labelling techniques
in Journal of Catalysis
Daly H
(2010)
The effect of reaction conditions on the stability of Au/CeZrO4 catalysts in the low-temperature water-gas shift reaction
in Journal of Catalysis
Morgan K
(2010)
TAP studies of CO oxidation over CuMnO and Au/CuMnO catalysts
in Journal of Catalysis
Burch R
(2011)
Catalytic hydrogenation of tertiary amides at low temperatures and pressures using bimetallic Pt/Re-based catalysts
in Journal of Catalysis
Chansai S
(2012)
The use of Short Time on Stream (STOS) transient kinetics to investigate the role of hydrogen in enhancing NOx reduction over silver catalysts
in Journal of Catalysis
Chansai S
(2010)
Investigating the mechanism of the H2-assisted selective catalytic reduction (SCR) of NOx with octane using fast cycling transient in situ DRIFTS-MS analysis
in Journal of Catalysis
McManus I
(2015)
Effect of solvent on the hydrogenation of 4-phenyl-2-butanone over Pt based catalysts
in Journal of Catalysis
Wilkinson S
(2015)
A kinetic analysis methodology to elucidate the roles of metal, support and solvent for the hydrogenation of 4-phenyl-2-butanone over Pt/TiO2
in Journal of Catalysis
Shen Y
(2014)
Moving from Batch to Continuous Operation for the Liquid Phase Dehydrogenation of Tetrahydrocarbazole
in Organic Process Research & Development
García-García FR
(2011)
TAP studies of ammonia decomposition over Ru and Ir catalysts.
in Physical chemistry chemical physics : PCCP
Garrett M
(2013)
New methods in biomass depolymerisation: catalytic hydrogenolysis of barks
in RSC Advances
Yang B
(2016)
Importance of surface carbide formation on the activity and selectivity of Pd surfaces in the selective hydrogenation of acetylene
in Surface Science
Lozovoi A
(2014)
Universal tight binding model for chemical reactions in solution and at surfaces. II. Water
in The Journal of Chemical Physics
Paxton AT
(2011)
A tight binding model for water.
in The Journal of chemical physics
Lozovoi AY
(2014)
Universal tight binding model for chemical reactions in solution and at surfaces. III. Stoichiometric and reduced surfaces of titania and the adsorption of water.
in The Journal of chemical physics
Sheppard TJ
(2014)
Universal tight binding model for chemical reactions in solution and at surfaces. I. Organic molecules.
in The Journal of chemical physics
Yang B
(2014)
Mechanistic Study of 1,3-Butadiene Formation in Acetylene Hydrogenation over the Pd-Based Catalysts Using Density Functional Calculations
in The Journal of Physical Chemistry C
Yang B
(2014)
Selective Hydrogenation of Acetylene over Pd-Boron Catalysts: A Density Functional Theory Study
in The Journal of Physical Chemistry C
Cao X
(2012)
Density Functional Theory Study on the Cleavage Mechanism of the Carbonyl Bond in Amides on Flat and Stepped Ru Surfaces: Hydrogen-Induced or Direct C-O Bond Breaking?
in The Journal of Physical Chemistry C
Cao X
(2011)
Reaction Mechanisms of Crotonaldehyde Hydrogenation on Pt(111): Density Functional Theory and Microkinetic Modeling
in The Journal of Physical Chemistry C
Pavelko R
(2013)
Time-Resolved DRIFTS, MS, and Resistance Study of SnO 2 Materials: The Role of Surface Hydroxyl Groups in Formation of Donor States
in The Journal of Physical Chemistry C
Chansai S
(2013)
Controlling the Sulfur Poisoning of Ag/Al2O3 Catalysts for the Hydrocarbon SCR Reaction by Using a Regenerable SOx Trap
in Topics in Catalysis
Description | The research has provided a much better understanding of how chemical processes operate, both for reactions in the gas phase and for reactions in the liquid phase. This has enabled reactions to be performed more selectively with the production of less waste products. In addition, the research has led to the development of new processes that can operate at much lower temperatures and pressures than existing processes and so very significant energy and materials savings can be achieved. |
Exploitation Route | The fundamental understanding of catalytic reactions in the gas phase or in the liquid phase that has been obtained in this research provides a basis for developing new catalysts and catalytic processes based on scientific knowledge rather than existing knowhow or through a programme of empirical experimentation. In future it will become possible to design new catalysts with specific functions and to determine scientifically how to use these to best advantage in a chemical process. |
Sectors | Chemicals,Energy,Environment,Manufacturing, including Industrial Biotechology,Pharmaceuticals and Medical Biotechnology |
Description | Our research has had both academic and commercial impact. The work has generated more than 50 peer-reviewed publications, including a significant number of joint papers from the participating institutions.There has been an ongoing and substantial amount of technology transfer from the academic groups to three of the industrial partners namely, Johnson Matthey, Robinson Brothers and Borregaard. Several new processes are being evaluated for possible commercialisation. |
First Year Of Impact | 2010 |
Sector | Chemicals,Energy,Environment,Manufacturing, including Industrial Biotechology,Pharmaceuticals and Medical Biotechnology |
Impact Types | Economic |
Description | ICC conference 2016 |
Form Of Engagement Activity | A talk or presentation |
Part Of Official Scheme? | No |
Geographic Reach | International |
Primary Audience | Other audiences |
Results and Impact | Conference presentation |
Year(s) Of Engagement Activity | 2016 |
Description | UKCC |
Form Of Engagement Activity | Participation in an activity, workshop or similar |
Part Of Official Scheme? | No |
Geographic Reach | International |
Primary Audience | Other audiences |
Results and Impact | Organisation of the UK Catalysis Conference |
Year(s) Of Engagement Activity | 2015,2016,2017 |