Main Group Catalysis for Sustainable Piezoelectrics
Lead Research Organisation:
University of Bath
Department Name: Chemistry
Abstract
The overall project of the goal is to investigate whether new main group catalysts can be used to produce sustainable ferroelectric materials with interesting tuneable properties.
In this project, the exploitation of the polar nature of N-Heterocyclic phosphine compounds (NHP-X) to undertake ring-opening polymerisation (ROP) studies on lactide and other cyclic esters (in concert with Los Alamos National Lab) will be investigated. Beyond the 5-membered NHP-X catalysts reported in the literature, a range of new catalyst scaffolds will be applied to investigate the effect of N-substituent; P-substituent; N-P-N angle and pi-delocalisation upon the polymer properties of the resulting polyester. The ability to vary the microstructure of polyesters offered by NHP catalysts (i.e. tacticity, chain length, end groups, ability to prepare copolymers) provides a unique opportunity to develop structure-activity relationships and measure the ferroelectric properties of such polymers.
Aims of the project:
Aim 1: Investigation of the catalytic efficacy of known and new NHP-X species in ROP and other reactivity. (Using standard air sensitive chemistry techniques including Schlenk techniques, and utilising analytical chemistry methods for characterisation such as nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry and single crystal X-ray diffraction.)
Aim 2: Interrogation of monomer scope, valorization and depolymerization potential. (Polymerisations will be monitored and the products will be analysed using techniques such as NMR spectroscopy, differential scanning calorimetry, powder X-ray diffraction and MALDI-TOF mass spectrometry.)
Aim 3: Investigation of the dielectric and ferroelectric properties of NHP-X derived polymers. (Ferroelectric, pyroelectric and piezoelectric properties of the polymers will be measured in collaboration with the Department of Mechanical Engineering, by measuring the change in polarisation of the material under the application of electric field, temperature change and pressure.)
In this project, the exploitation of the polar nature of N-Heterocyclic phosphine compounds (NHP-X) to undertake ring-opening polymerisation (ROP) studies on lactide and other cyclic esters (in concert with Los Alamos National Lab) will be investigated. Beyond the 5-membered NHP-X catalysts reported in the literature, a range of new catalyst scaffolds will be applied to investigate the effect of N-substituent; P-substituent; N-P-N angle and pi-delocalisation upon the polymer properties of the resulting polyester. The ability to vary the microstructure of polyesters offered by NHP catalysts (i.e. tacticity, chain length, end groups, ability to prepare copolymers) provides a unique opportunity to develop structure-activity relationships and measure the ferroelectric properties of such polymers.
Aims of the project:
Aim 1: Investigation of the catalytic efficacy of known and new NHP-X species in ROP and other reactivity. (Using standard air sensitive chemistry techniques including Schlenk techniques, and utilising analytical chemistry methods for characterisation such as nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry and single crystal X-ray diffraction.)
Aim 2: Interrogation of monomer scope, valorization and depolymerization potential. (Polymerisations will be monitored and the products will be analysed using techniques such as NMR spectroscopy, differential scanning calorimetry, powder X-ray diffraction and MALDI-TOF mass spectrometry.)
Aim 3: Investigation of the dielectric and ferroelectric properties of NHP-X derived polymers. (Ferroelectric, pyroelectric and piezoelectric properties of the polymers will be measured in collaboration with the Department of Mechanical Engineering, by measuring the change in polarisation of the material under the application of electric field, temperature change and pressure.)
Planned Impact
The Centre for Doctoral Training (CDT) in Sustainable Chemical Technologies (SCT) at the University of Bath will place fundamental concepts of sustainability at the core of a broad spectrum of research and training at the interface of chemical science and engineering. It will train over 60 PhD students in 5 cohorts within four themes (Energy and Water, Renewable Resources and Biotechnology, Processes and Manufacturing and Healthcare Technologies) and its activities and graduates will have potential economic, environmental and social impact across a wide range of beneficiaries from academia, public sector and government, to industry, schools and the general public.
The primary impact of the CDT will be in providing a pool of highly skilled and talented graduates as tomorrow's leaders in industry, academia, and policy-making, who are committed to all aspects of sustainability. The economic need for such graduates is well-established and CDT graduates will enhance the economic competitiveness of the UK chemistry-using sector, which accounts for 6m jobs (RSC 2010), contributing £25b to the UK economy in 2010 (RSC 2013). The Industrial Biotechnology (IB) Innovation and Growth Team (2009) estimated the value of the IB market in 2025 between £4b and £12b, and CIKTN (BIS) found that "chemistry, chemical engineering and biology taken together underpin some £800b of activity in the UK economy".
UK industry will also gain through collaborative research and training proposed in the Centre. At this stage, the CDT has 24 partners including companies from across the chemistry- and biotechnology-using sectors. As well as direct involvement in collaborative CDT projects, the Centre will provide an excellent mechanism to engage with industrial and manufacturing partners via the industrial forum and the Summer Showcase, providing many opportunities to address economic, environmental and societal challenges, thereby achieving significant economic and environmental impact.
Many of the issues and topics covered by the centre (e.g., sustainable energy, renewable feedstocks, water, infection control) are of broad societal interest, providing excellent opportunities for engagement of a wide range of publics in broader technical and scientific aspects of sustainability. Social impact will be achieved through participation of Centre students and staff in science cafés, science fairs (Cheltenham Science Festival, British Science Festival, Royal Society Summer Science Exhibition) and other events (e.g., Famelab, I'm a Scientist Get Me Out of Here). Engagement with schools and schoolteachers will help stimulate the next generation of scientists and engineers through enthusing young minds in relevant topics such as biofuels, solar conversion, climate change and degradable plastics.
The activities of the CDT have potential to have impact on policy and to shape the future landscape of sustainable chemical technologies and manufacturing. The CDT will work with Bath's new Institute for Policy Research, through seminars, joint publication of policy briefs to shape and inform policy relevant to SCT. Internship opportunities with stakeholder partners and, for example, the Parliamentary Office of Science and Technology will provide further impact in this context.
The primary impact of the CDT will be in providing a pool of highly skilled and talented graduates as tomorrow's leaders in industry, academia, and policy-making, who are committed to all aspects of sustainability. The economic need for such graduates is well-established and CDT graduates will enhance the economic competitiveness of the UK chemistry-using sector, which accounts for 6m jobs (RSC 2010), contributing £25b to the UK economy in 2010 (RSC 2013). The Industrial Biotechnology (IB) Innovation and Growth Team (2009) estimated the value of the IB market in 2025 between £4b and £12b, and CIKTN (BIS) found that "chemistry, chemical engineering and biology taken together underpin some £800b of activity in the UK economy".
UK industry will also gain through collaborative research and training proposed in the Centre. At this stage, the CDT has 24 partners including companies from across the chemistry- and biotechnology-using sectors. As well as direct involvement in collaborative CDT projects, the Centre will provide an excellent mechanism to engage with industrial and manufacturing partners via the industrial forum and the Summer Showcase, providing many opportunities to address economic, environmental and societal challenges, thereby achieving significant economic and environmental impact.
Many of the issues and topics covered by the centre (e.g., sustainable energy, renewable feedstocks, water, infection control) are of broad societal interest, providing excellent opportunities for engagement of a wide range of publics in broader technical and scientific aspects of sustainability. Social impact will be achieved through participation of Centre students and staff in science cafés, science fairs (Cheltenham Science Festival, British Science Festival, Royal Society Summer Science Exhibition) and other events (e.g., Famelab, I'm a Scientist Get Me Out of Here). Engagement with schools and schoolteachers will help stimulate the next generation of scientists and engineers through enthusing young minds in relevant topics such as biofuels, solar conversion, climate change and degradable plastics.
The activities of the CDT have potential to have impact on policy and to shape the future landscape of sustainable chemical technologies and manufacturing. The CDT will work with Bath's new Institute for Policy Research, through seminars, joint publication of policy briefs to shape and inform policy relevant to SCT. Internship opportunities with stakeholder partners and, for example, the Parliamentary Office of Science and Technology will provide further impact in this context.
Organisations
| Description | The polymerisation of lactide was attempted with the use of phosphorus-based catalysts, however this was deemed to be ineffective compared to other catalysts currently used for this purpose. Instead the catalysts were found to be active for the breakdown of the polymer in the presence of an alcohol and are able to do this effectively and cleanly. This new avenue will be explored further with the aims of publication. In other work, progress has been made in the production of previously unknown phosphorus oxides through the loss of ethene in a relatively atom efficient method. |
| Exploitation Route | The preliminary results that have been obtained from the production of phosphorus oxides opens up avenues for other areas of research, including the modification of the materials used to develop other high oxidation state phosphorus compounds, and potential catalytic applications of the species produced. |
| Sectors | Chemicals,Environment,Manufacturing, including Industrial Biotechology |