Knowledge Transfer Networks Accelerating business innovation; a Technology Strategy Board programme Review of Challenges in Modelling and HT Methods for Formulation Stephen Hillier Bradford, October 22 nd 2010

Knowledge Transfer Networks Accelerating business innovation; a Technology Strategy Board programme Modelling & High Throughput Modelling theme(Stephen Hillier) Events, Networking & support to raise profile, impact and uptake of modelling – Delivery of Value from Modelling event (Summer 2010) Product design priority area(Darren Ragheb) Key priority area with focus on formulated products – Wide scope includes HT – Focus on building collaborative projects & delivery of industrial value Modelling and HT Identified as a key challenge area – Focus on building collaborative projects & delivery of industrial value

Knowledge Transfer Networks Accelerating business innovation; a Technology Strategy Board programme Importance of HT & Modelling PRODUCT DEVELOPMENT Performance Physical Properties Sensory Properties Stability Disruptive innovation Define the product space Access the space

Knowledge Transfer Networks Accelerating business innovation; a Technology Strategy Board programme Importance of HT & Modelling

Knowledge Transfer Networks Accelerating business innovation; a Technology Strategy Board programme Importance of HT & Modelling Optimisation

Knowledge Transfer Networks Accelerating business innovation; a Technology Strategy Board programme Importance of HT & Modelling Optimisation

Knowledge Transfer Networks Accelerating business innovation; a Technology Strategy Board programme The value of modelling & HT Modelling techniques: Provide predictive tools to support the design of formulations Holistic product design Complex multi-component systems Effect of packaging? Effect of processing ? Formulation of functional ingredients Physical Performance Sensory Properties Disruptive innovation Stability High Throughput: Provide the capability to experimentally map new formulation space Routes to quickly implement the development strategy Scope is the same as modelling Data analysis/Visualisation through modelling & informatics

Knowledge Transfer Networks Accelerating business innovation; a Technology Strategy Board programme The value of modelling & HT Modelling techniques: Provide predictive tools to support the design of formulations High Throughput: Provide the capability to experimentally map new formulation space All formulation developments require experimentation Modelling can direct the strategy & approach Modelling and HT Dramatically increase the speed of innovation Allow the complexity of formulations to be handled Reduce experimental spend (FTE and resource) Reproducibility gives increased control/confidence Effective route to scope disruptive/step-change innovation Effective route to implement incremental product development

Knowledge Transfer Networks Accelerating business innovation; a Technology Strategy Board programme Modelling Challenges Delivery of business value Delivery of tangible benefit to industry Must be embedded in delivery projects Must deliver on budget & in time Barriers to uptake Stakeholder support Where are the examples of success? (Internal & external) Need to overcome poor perception and awareness Where are the compelling case studies? Disclosure, IP etc...

Knowledge Transfer Networks Accelerating business innovation; a Technology Strategy Board programme Modelling Challenges Barriers to uptake Complexity & Multi-scale modelling Need to define the problem (key parameters) Good experimental data on which to build accurate & reliable models is often scarce Examples of well understood systems include biology (small molecule/protein interactions) and catalysis Identification of the right measurement parameters Multi-scale modelling - The modelling needs to be effective across different length scales (potentially molecular to process scale). What are the assumptions and variables? Molecular versus colloidal, predictions of bulk properties i.e. formulation stability Surface interactions with molecular level to bulk Modelling of complexity: For example modelling biological systems requires cross-over between chemical, biochemical and bio-molecular models. Chemical Process design

Knowledge Transfer Networks Accelerating business innovation; a Technology Strategy Board programme Modelling Challenges Barriers to uptake Formulator or process scientist support Absolutely critical! Formulators MUST be well engaged in the whole process. Includes model design, implementation & refinement. Ideally model is accessible to formulators. Data capture, interpretation & storage The right level of data must be captured and interrogated in the right way Shrewd experimental design is required to make this as effective as possible

Knowledge Transfer Networks Accelerating business innovation; a Technology Strategy Board programme Modelling Challenges Barriers to uptake Skills Different levels of expertise are required from Expert Practitioner to User What size of internal team/skill set is required to effectively utilise modelling? Expert practitioner(s). How are these skills acquired/retained? Formulators/Users

Knowledge Transfer Networks Accelerating business innovation; a Technology Strategy Board programme HT Challenges Barriers to uptake Equipment capability -Liquid & solid handling is good -Soft solids remain more challenging -Load times have been greatly reduced Process Measurement, Product Analysis & Data handing -What is the critical measurement challenge (& purpose) Quick & robust vs. Expert measurement -What is the right level of automation & automated data interrogation? -Informatics & data handling are again crucial “Many of the instrumentation challenges have already been solved”

Knowledge Transfer Networks Accelerating business innovation; a Technology Strategy Board programme HT Challenges Scale & Processing -What scale of HT gives meaningful understanding of product development and impact of processing developments? - Do the measurement challenges remain the same? “Many of the instrumentation challenges have already been solved”

Knowledge Transfer Networks Accelerating business innovation; a Technology Strategy Board programme Importance of Modelling & HT Together both approaches can be highly successful BUT the complexity of formulations must be adequately understood & described

Knowledge Transfer Networks Accelerating business innovation; a Technology Strategy Board programme What are your challenges? Are you looking to expand your use of modelling and/or HT? Do you know how to integrate modelling and HT in your business? Are you looking to use modelling and/or HT for the first time? Do you need the evidence to secure internal funding? Do you have the internal expertise to approach this challenge? Are you looking to find new customers in new or existing sectors? Which delegate in the room can help you overcome your challenges?