Simplex optimization of reaction conditions with an automated system.

Abstract

An automated system for the optimization of experimental conditions was applied to the reaction of carboxylic acid. This system consists of a laboratory robotic system, a spectrophotometer, and a personal computer which are interfaced with each other. The optimum conditions were obtained according to the super modified simplex algorithm. This model reaction involved 3 or 4 parameters, and was optimized after 28 experiments at most. The effects of the initial simplex as well as the feasibility and efficiency of the system are discussed.