Computer‐Aided Design of Large‐Scale Nanomaterials Synthesis Processes: A Detailed Review

Abstract Efforts from the scientific community and the private sector are required to lower the costs of large‐scale production of nanomaterials (NMs) to enhance their commercialization. In this work, the computer‐aided process design of large‐scale NM synthesis procedures is comprehensively reviewed. Moreover, a generalized process flow diagram for all large‐scale production processes was constructed by surveying numerous scalable experimental procedures reported in the literature. Previous studies reporting simulation cases of large‐scale production processes of NMs and nanocomposites (NCs) are also reviewed based on the type of material produced, e.g., oxides, sulfides, carbonaceous materials, organic materials, metals, and other types of NMs. Finally, technical insights from classical chemical engineering specializations, such as altering process configurations, optimizing process variables, integrating chemical processes, utilizing renewable energy sources, conducting computational calculations, employing machine learning techniques, and studying the process's environmental impact, are reviewed for large‐scale NMs and NCs synthesis.