Construction of a 21-Component Layered Mixture Experiment Design Using a New Mixture Coordinate-Exchange Algorithm

This article describes the solution to a unique and challenging mixture experiment design problem involving (1) 19 and 21 components for two different parts of the design, (2) many single-component and multicomponent constraints, (3) augmentation of existing data, (4) a layered design developed in stages, and (5) a no-candidate-point optimal design approach. The problem involved studying the liquidus temperature of spinel crystals as a function of nuclear waste glass composition. A D-optimal approach was used to augment existing glasses with new nonradioactive and radioactive glasses chosen to cover the designated nonradioactive and radioactive experimental regions. The traditional approach to building D-optimal mixture experiment designs is to generate a set of candidate points from which design points are D-optimally selected. The large number of mixture components (19 or 21) and many constraints defining each layer of the waste glass experimental region made it impossible to generate and store the huge number of vertices and other typical candidate points. A new coordinate-exchange algorithm applicable for constrained mixture experiments implemented in JMP® was used to D-optimally select design points without candidate points. The new coordinate-exchange algorithm for mixture experiments is described in this article.