A Computer-Aided Platform for Simultaneous Process Synthesis and Intensification

We develop SPICE (Synthesis and Process Intensification of Chemical Enterprises), which is a software tool for chemical process design and discovery. Primarily based on the building block representation of various physicochemical phenomena, SPICE offers a comprehensive set of toolkits to perform (i) benchmarking to determine the theoretical bounds on process design opportunities and maximum intensification targets, (ii) conceptual process design, (iii) process synthesis and optimization, (iv) process simulation and analysis of both intensified and non-intensified unit operations, (v) identification of intensification hotspots for existing processes and (vi) property-performance mapping towards elucidating new materials for intensification purposes. The benefits and the applicability of SPICE as a process design platform are demonstrated through multiple case studies.