Bridging Virtual and Reality: Testing Design of Experiment Procedures with Simulated and Experimental Data

Abstract

A virtual experiment conducted using the ICP-MS TuneSim software served as the basis for studies that compared the applicability of the central composite design with the Box–Behnken design in analytical chemistry applications. The insights gathered from these virtual experiments were used in real-life electroanalytical tests, including the determination of germanium and the studies of the antioxidant properties of herbal infusions. The experimental design and interpretation of the results were performed using Statistica software.

Keywords

• Central Composite Design
• Box–Behnken Design
• virtual experiments