Fuzzy optimization for screening of sustainable chemical reaction pathways

Abstract

Screening of chemical reaction pathway appears to be one of the most critical tasks in new chemical process development. Various methods for synthesis of chemical reaction pathway such as logic-centered, direct associative methods and optimization-based approaches have been proposed. However, majority of the previous works are focusing on economic and environmental performance; while very few have taken inherent safety and health into consideration. In order to develop a sustainable chemical reaction pathway, all inherent SHE aspects and economic should be considered. The application of inherent approach during early design stage allows the reduction and elimination of hazards intrinsically and avoids costly modification or add-on system. In this work, fuzzy optimization is adapted for screening of sustainable chemical reaction pathway by minimizing the impacts of inherent safety, health and environment whilst maximizing the economic performance. To illustrate the proposed approach, a case study on synthesis of methyl methacrylate (MMA) is presented.