Predicting dynamic mesoscale structure of soft or fluid consumer products

COMP 263

Fiona H Case, fiona@casescientific.com, Case Scientific, 125 Main Street, Essex Junction, VT 05452, J.G.E.M. Fraaije, j.fraaije@chem.LeidenUniv.nl, Leiden Institute of Chemistry, University of Leiden, PO Box 9502, 2300 RA Leiden, Netherlands, and Shyamal K. Nath, Department of Materials Engineering, New Mexico Tech, Socorro, NM 87801.
Many soft or fluid consumer products, such as foods, paint, detergents, personal care products, and cosmetics, contain mesoscale (nanometer to micron size) fluid structures. These structures are formed by the spontaneous self-assembly of natural or synthetic surfactants or block copolymers. In most products mixtures of different surfactants and polymers are required to create the desired structure and performance. These complex materials require a modeling approach that can span a wide range of length and time scales. Performance depends not only on the static or equilibrium mesoscale structure, but on it's dynamic behavior in response to macroscale external stimuli (mixing, dilution, etc.), which is determined by the molecular structure of the ingredients. This presentation will describe modeling approaches, encompassing molecular, particle, and field descriptions of materials, which have been developed to predict properties of these commercially important complex materials.