How do you steer catalyst behaviour when your system has more than one active site? That’s the challenge at the heart of C1_QSPR project, exploring how C1-symmetric catalysts behave in olefin copolymerisation, where multiple active sites may compete, and how to predict that behaviour before synthesis even begins.
This project aims to extend DPI’s proven approach to structure–property modelling, previously applied to metallocenes and C2-symmetric systems, into more complex territory. For industry, this means earlier insights and sharper R&D decisions.
From clear-box models to asymmetric catalyst systems
Tailored catalyst design is key to advancing polymer performance. Earlier DPI projects have shown that explainable modelling tools can successfully link molecular structure to polymer properties.
Now, the focus shifts to more complex systems with multiple active sites. This requires an integrated approach that combines modelling with experimental data – pushing the boundaries of catalyst predictability.
Combining NMR and chemically intuitive modelling
This project draws on complementary strengths:
- NMR spectroscopy: reveals structure and behaviour of C1-symmetric catalysts in solution
- Clear-box modelling: develops explainable models based on chemically meaningful descriptors
Together, these methods aim to deliver trusted, usable models – not just abstract predictions.
Industrial relevance: faster, smarter catalyst selection
Success in this project will allow DPI partners to:
- Identify promising catalysts earlier
- Reduce experimental trial-and-error
- Make faster, more confident design choices
The result? Reduced cost, accelerated development, and better-aligned performance outcomes.
Pre-competitive, collaborative and industry-driven
C1_QSPR is part of DPI’s Enabling Tools & Technologies programme. As with all DPI initiatives, this project:
- Works across institutions and disciplines
- Shares pre-competitive knowledge
- Stays focused on industrial applicability
Boost your R&D
By joining the DPI community, you gain access to world-leading polymer research and you help shape it. Curious how this project fits your innovation roadmap? Let’s talk.
Claude Bostoen
Business development and programme manager
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