Catalysts catalyze chemical reactions, making them an integral part of modern industry and playing an important role in the efficient use of energy resources and environmental preservation. Catalyst design methods provide a systematic approach to solving these problems and are becoming a key technology for future sustainable development.
Catalysts are also called magic stones. This is because when a chemical process is used to produce a desired substance from inexpensive and abundant raw materials, catalysts provide a new reaction pathway with low activation energy, allowing the desired reaction to occur easily, as if by magic. The importance of catalysts is widely recognized throughout modern science and industry, and their role is only expanding. For example, the plastics, fibers, and fuels we use in our daily lives could not be produced efficiently without the help of catalysts. For this reason, catalysts have become an integral part of industry and energy production.
Iron catalysts, in particular, made possible the synthesis of ammonia from hydrogen and nitrogen just before World War I, contributing significantly to food production. This process, known as the Haber-Bosch process, was instrumental in increasing agricultural productivity as the world’s population grew rapidly. More recently, platinum catalysts have been used to clean up exhaust fumes. By converting harmful gases from automobile tailpipes into harmless substances, platinum catalysts are helping to reduce air pollution. As you can see, catalysts are becoming a key technology for solving a variety of problems in the areas of food, energy, and the environment. More than just catalyzing chemical reactions, catalysts are playing a crucial role in solving many of the problems facing humanity.
However, the development of industrial catalysts has traditionally been a matter of trial and error, sometimes referred to as “seeing the catalyst”. This means that catalyst development is a time-consuming, resource-intensive, and uncertain process. This process involves researchers randomly testing different materials and stumbling upon efficient catalysts by chance. Not only is this approach inefficient, but it also takes a long time to achieve the desired results.
To solve these problems, catalyst design methods have been proposed, which have been made possible by advances in surface chemistry and catalyst engineering. The catalyst design method is a system that minimizes errors through a regression pathway, and it consists of three main steps. In the first step, the target reaction is selected and a target value is set after a thermodynamic review and economic evaluation. If this step is deemed thermodynamically infeasible or difficult to reach the desired level of economics, the design goes back to the beginning. In the second step, a model of the reaction pathway where the reactants are adsorbed on the catalyst surface and converted into products is envisioned. At this stage, it is important to have an accurate understanding of the catalyst’s properties based on various theoretical analyses and experimental data. Then, based on this model, the active material, which facilitates the reaction, the enhancer, which enhances the function of the active material, and the support, which maintains the catalyst in the right shape for the reaction, are selected.
In the final step, catalyst samples are prepared and tested with the previously selected combinations, and the results are used to evaluate the activity, selectivity, and durability of the catalyst. If the results do not meet the target, the process goes back to selecting the catalyst combination, and if the reaction does not proceed according to the set pathway model, the process goes back to setting the pathway model. Once the target value is reached according to the set pathway model, the catalyst design is complete. This systematic approach can greatly increase the efficiency of catalyst development, and the required catalysts can be developed more quickly.
In the future, society will prioritize the efficient use of energy resources and the preservation of the environment. The development of various catalysts will be required to improve existing processes or to meet environmental regulations. In particular, to improve existing processes, new catalysts will be needed that can effectively produce the desired substance with fewer reaction steps, and that can selectively and rapidly carry out reactions at low temperatures. These catalysts have the potential to revolutionize industries across the board. For example, if a catalyst is developed that utilizes carbon dioxide as a feedstock to produce useful compounds, it could make a significant contribution to addressing climate change.
Catalyst design methods are not just solving current industrial problems, but are becoming a key technology for sustainable development in the future. It is a systematic approach to creating magic stones that solve environmental and energy problems. These technological advances will play an important role in overcoming many of the challenges facing humanity, and will further improve our quality of life.
