Computer Aided Formulation
In civil and mechanical engineering, the design process is done almost entirely by computer. A long-held goal in formulated product design is to shift from an ad hoc labor-intensive and expensive process towards a more robust and adaptive computer aided formulation (CAF) paradigm. Recently, The Science and Technology Facilities Council’s (STFC) Hartree Centre in collaboration with IBM, have developed computational simulation methods and analytics to drive a radical change in speed of formulated product design for manufacturability and in-use performance. The goals of this work are enhanced de novo formulation design, shorter time to market, adaptive response to supply chain variability, and encouraging the adoption of formulation for sustainability. The ability to formulate virtually allows for acceleration of R&D processes, smoother development of new products, especially for high value manufacturing markets where growth arise from high R&D intensive efforts. These computer aided formulation tools are made possible by leveraging the latest IBM power-based High Performance Computing (HPC) systems and cognitive optimization methodologies. Our state-of-the-art computational models serve to advise the industrial chemist which formulations can be applied to produce products with the desired properties. In this talk we discuss the methods used in our CAF framework, based on the dissipative particle dynamics simulation method, highlighting successes and indicating where opportunities exist to develop the framework further. We present how the framework is being used to understand products in the fast-moving consumer goods and petrochemicals industries.
This is a weekly series of informal talks given primarily by members of the soft condensed matter and statistical mechanics groups, but is also open to members of other groups and external visitors. The aim of the series is to promote discussion and learning of various topics at a level suitable to the broad background of the group. Everyone is welcome to attend..