Although 2,4-dinitrotoluene (DNT) hydrogenation to 2,4-toluenediamine (TDA) has become less significant in basic and applied research, its industrial importance in polyurethane production is indisputable. The aim of this work is to characterize, rank, and compare the catalysts of 2,4-dinitrotoluene catalytic hydrogenation to 2,4-toluenediamine by applying the Miskolc Ranking 21 (MIRA21) model. This ranking model enables the characterization and comparison of catalysts with a mathematical model that is based on 15 essential parameters, such as catalyst performance, reaction conditions, catalyst conditions, and sustainability parameters. This systematic overview provides a comprehensive picture of the reaction, technological process, and the previous and new research results. In total, 58 catalysts from 15 research articles were selected and studied with the MIRA21 model, which covers the entire scope of DNT hydrogenation catalysts. Eight catalysts achieved the highest ranking (D1), whereas the transition metal oxide-supported platinum or palladium catalysts led the MIRA21 catalyst ranking list.
The catalytic hydrogenation of 2,4-dinitrotoluene (DNT) to 2,4-toluenediamine (TDA) is a key step in the production of polyurethanes; therefore, the development of efficient hydrogenation catalysts for industrial use is of paramount importance. In the present study, chromium(IV) oxide nanowires were decorated by palladium and platinum nanoparticles in a one-step, simple, and fast preparation method to yield highly efficient hydrogenation catalysts for immediate use. The nanoparticles were deposited onto the surface of CrO2 nanowires by using ultrasonic cavitation and ethanol as a reduction agent. Beneficially, the catalyst became catalytically active right at the end of the preparation and no further treatment was necessary. The activity of the Pd- and Pt-decorated CrO2 catalysts were compared in the hydrogenation of 2,4-dinitrotoluene (DNT). Both catalysts have shown high activity in the hydrogenation tests. The DNT conversion exceeded 98% in both cases, whereas the 2,4-toluenediamine (TDA) yields were 99.7 n/n% and 98.8 n/n%, with the Pd/CrO2 and Pt/CrO2, respectively, at 333 K and 20 bar H2 pressure. In the case of the Pt/CrO2 catalyst, 304.08 mol of TDA formed with 1 mol Pt after 1 h hydrogenation. Activation energies were also calculated to be approximately 24 kJ∙mol−1. Besides their immediate applicability, our catalysts were well dispersible in the reaction medium (methanolic solution of DNT). Moreover, because of their magnetic behavior, the catalysts were easy to handle and remove from the reaction media by using a magnetic field.
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.
The decomposition rate of chlorate (NaClO3) in aqueous solutions (brines) containing initially 6:1 mol/mol HCl:NaClO3 is studied at 90°C at various NaCl contents experimentally. A strong positive effect of NaCl addition is shown on the decomposition rate of chlorate. It is found more reasonable in the chlor-alkali industry first to saturate the brine by sodium chloride and only then to eliminate from it the chlorate by adding HCl (before the solution is transferred into the electrolysis cell to be protected from the chlorate ions).
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