Optimal Designs for Antoine’s Equation: Compound Criteria and Multi-Objective Designs via Genetic Algorithms

Abstract

Antoine’s Equation is commonly used to explain the relationship between vapour pressure and temperature for substances of industrial interest. This paper sets out a combined strategy to obtain optimal designs for the Antoine Equation for D- and I-optimisation criteria and different variance structures for the response. Optimal designs strongly depend not only on the criterion but also on the response’s variance, and their efficiency can be strongly affected by a lack of foresight in this selection. Our approach determines compound and multi-objective designs for both criteria and variance structures using a genetic algorithm. This strategy provides a backup for the experimenter providing high efficiencies under both assumptions and for both criteria. One of the conclusions of this work is that the differences produced by using the compound design strategy versus the multi-objective one are very small.