Optimization proposal for emulsions formulation considering a multiscale approach

Abstract

The design of higher value-added products involves the evaluation of different formulation alternatives, while simultaneously addressing product structure and functionalities, manufacturing process, and market requirements. Mathematical programming approaches have proven to be suitable means to reduce experimentation resources and development time; however, the integration of the diverse design variables and constraints establish a challenging modeling task that includes the implementation of multiple simulation software. This paper presents an optimization proposal for emulsions formulation considering a multiscale approach based on mathematical programming and independent modular representation of the (1) product structure and properties, (2) consumer requirements and (3) product market performance. This proposal was developed in Pyomo in order to provide a generic, highly configurable and modular open-source environment for the solution of multiscale design problems, allowing the combination of diverse mathematical models. Two emulsion design cases are presented to highlight the application of the optimization model to find the best formulation related to multiscale properties. The first case consists of the maximization of consumer preference, while the second case involves the maximization of economic revenue. According to the optimization proposal implementation, the results show that the economic-driven formulation offers a better balance between revenue and consumer preference. The Pyomo code is available upon request.