Comparison of Catalysts with MIRA21 Model in Heterogeneous Catalytic Hydrogenation of Aromatic Nitro Compounds

Abstract

The vast majority of research and development activities begins with a detailed literature search to explore the current state-of-the-art. However, this search becomes increasingly difficult as we go into the information revolution of 21st century. The aim of the work is to establish a functional and practical mathematical model of catalyst characterization and exact comparison of catalysts. This work outlines the operation of the MIskolc RAnking 21 (MIRA21) model through the reaction of nitrobenzene catalytic hydrogenation to aniline. A total of 154 catalysts from 45 research articles were selected, studied, characterized, ranked, and classified based on four classes of descriptors: catalyst performance, reaction conditions, catalyst conditions, and sustainability parameters. MIRA21 is able to increase the comparability of different types of catalysts and support catalyst development. According to the model, 8% of catalysts received D1 (top 10%) classification. This ranking model is able to show the most effective catalyst systems that are suitable for the production of aniline.