The Procter and Gamble Company: Current State and Future Needs in Materials Modeling

New material development and commercial application is often quite complex due to the material properties and multiple transformations materials undergo in the supply chain, manufacturing process, and distribution of the finished product. In the fast-moving consumer goods industry of personal and household care products, these complexities are particularly acute due to the focus on and use of “commodity” materials that, at times, have significant variability in material properties. These materials are often formulated into complex liquids or assembled products, which undergo multiple transformations during making and can further undergo additional changes during distribution and use by the consumer (some desired, some not). At each stage of development, manufacturing, and distribution, materials models can be tremendously helpful in material and process selection and optimization. This chapter provides an overview of the current state-of-the-art in materials modeling as applied to the soft materials typically used in household and personal care products, with particular focus on modeling tools that span the length and time scales most relevant for modeling. We review the tools and methods in materials modeling and provide several examples where these tools have been used to guide the development of new materials. We conclude with commentary on additional advancements needed to drive practical application of these modeling tools more broadly for material development.