Revolutionizing perfume creation: PTD's innovative approach

Abstract

The Perfumery Ternary Diagram (PTD) is a powerful tool in perfumery for analyzing perfume mixtures comprising three fragrant components and a solvent base. It combines ternary diagrams with perfume pyramids to swiftly evaluate odor characteristics and composition in the headspace across various concentrations, bypassing time-consuming experimental processes. Using a diffusion model to simulate evaporation, this study utilizes PTDs to track changes in the liquid and gas-liquid interface. Using Python, we calculated the OVs of each component at 25 °C, based on molecular weight, saturated vapor pressure, and odor threshold. The data was processed and visualized in MATLAB, producing PTDs that highlighted the component with the highest OV at any given composition. Furthermore, initially as the mole fraction continues to rise, the percentage decrease in odor value is approximately 11.1 %, indicating a diminishing rate of change. The distribution of odor values is elaborated in the MATLAB diagrams that give a comprehensive representation of how the odor value varies with different compositions. The PTDs were effective in representing the critical role of individual components, making them valuable tools for perfumers and researchers. The PTD analysis revealed that limonene (top note) demonstrated the highest odor value (OV) at concentrations above 60 % within the mixture, while vanillin (base note) maintained stability at lower concentrations, supporting its role as a fixative. These findings validate PTDs as predictive tools, accurately reflecting odor value variations across different fragrance compositions. This study investigates whether Perfumery Ternary Diagrams (PTDs) can reliably predict odor value distributions within perfume mixtures, thus providing a practical and efficient tool for optimizing fragrance compositions.