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Foundations

Catalysis is a highly complex and interdisciplinary field of science that enables the efficient production of a wide range of products.

 

The complex field of catalysis encompasses various disciplines such as homogeneous, photocatalysis, biocatalysis, heterogeneous, and electrocatalysis. It also includes areas that are inherently linked to the reaction process and cannot be separated from it—such as reactor design and process engineering. Scientific progress in catalysis relies on both experimental and computational methods.

For solid-state catalysts, there is a strong connection to materials science, while biocatalysis closely interacts with microbiology and molecular biology.
The following sections provide a more detailed overview of the individual branches of catalysis.

Today, most chemical processes are catalytically assisted: catalysts accelerate reactions, or make them possible in the first place, without being consumed in the process. In heterogeneous catalysis, the catalyst and the reactants exist in different “phases,” as chemists say that is, in different physical states.

The catalyst is often solid, such as in an automotive catalytic converter, while the reactants, gases or liquids, flow past it and are triggered into reaction through contact. Compared to homogeneous catalysis, heterogeneous catalysis offers advantages: reactants and products are easier to separate, and the catalyst can be more easily regenerated.

The term catalysis was coined in the 19th century by Jöns Jakob Berzelius, who observed similarities in very different chemical reactions for example, the dehydrogenation of alcohols to aldehydes on glowing metals, or the breakdown of ethanol into ethylene and water over alumina. In these cases, alongside the reactants and products, there is always a third substance involved one that appears to remain unchanged.

A classic example is ammonia synthesis, developed just over 100 years ago. It revolutionized global food supply at a time when natural sources of nitrogen fertilizer (such as saltpeter) were becoming scarce. The Haber-Bosch process extracts nitrogen from the air by “cracking” molecular nitrogen (N₂), a form unusable by most plants, using hydrogen and an iron catalyst.

Today, heterogeneous catalysis plays a vital role in tasks like converting carbon dioxide from the atmosphere into useful chemical products essentially turning a climate threat into a valuable feedstock. These developments are gradually replacing fossil-based raw materials like coal, oil, and gas, laying the foundation for a greener chemical industry based on renewable energy and sustainable resources.

 

Further Links

Heterogeneous Catalytic Process Development at the Leibniz Institute for Catalysis

Catalyst Development and Reaction Engineering at the Leibniz Institute for Catalysis

Heterogeneous Photocatalysis at the Leibniz Institute for Catalysis

 

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A comprehensive introduction to key concepts is available here:
Operando Research in Heterogeneous Catalysis

Catalysts control and accelerate nearly all chemical and biochemical reactions without appearing in the final product. Chemists refer to homogeneous catalysis when all reactants involved in the process are in the same physical state, most commonly as a solution in the liquid phase.

A classic catalytically influenced process is alcoholic fermentation from sugar, first practiced by the Sumerians around 8,000 years ago in Mesopotamia.

The lead chamber process by Desormes and Clément (1806) is considered the first technical procedure for producing a bulk chemical sulfuric acid. Enzyme catalysis dates back to the early 20th century, with examples like the enzymatic cleavage of sucrose into glucose and fructose. Today, enzyme catalysis underpins the resource-efficient production of pharmaceuticals, fine chemicals, vitamins, and detergents.

Homogeneous catalysts often involve transition metals, named for their position in the periodic table. The reactive metal center is typically embedded in a molecular framework, called a ligand, which also influences key parameters of the reaction, such as turnover or selectivity.

Historically, homogeneous catalysis developed as the "workhorse" of organic chemistry, which is carbon-based and predominantly product-oriented. Among its advantages over heterogeneous catalysis are milder reaction conditions (lower pressures and moderate temperatures) and higher selectivity, which leads to fewer side products. However, recovery of the catalyst after the reaction remains a challenge.

Today, the previously rigid boundary between homogeneous and heterogeneous catalysis is increasingly blurred. Modern research reflects this convergence, especially as inorganic chemistry, more analytical and theory-driven, contributes to the understanding of catalytic mechanisms across both domains.

 

Further Links

Overview of applied homogeneous catalysis at the Leibniz Institute for Catalysis

Coordination chemistry and catalysis at the Leibniz Institute for Catalysis

Hydrogenation and hydroformylation at the Leibniz Institute for Catalysis

 

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Key concepts and fundamentals are available here:
Homogeneous Catalysts: Activity – Stability – Deactivation

Photocatalysis, electrocatalysis, and their combination, photoelectrocatalysis, are catalytic processes of fundamental importance for addressing the major challenges in renewable energy conversion and storage. These systems combine heterogeneous or homogeneous catalysis with additional photo- and/or electrochemical parameters such as wavelength, current, or potential. Together, they represent some of the most complex interfacial charge-transfer processes in catalysis.

In photocatalysis, the generation, transport, and participation of “free” charge carriers (electrons and holes) at the surface is directly linked to the catalytic transformation of chemical bonds—i.e., the breaking and forming of molecules. When photons of a specific wavelength are absorbed by a semiconductor, electron–hole pairs are generated. These can be used, for example, to split water catalytically.

In electrocatalysis, the catalytic transformation takes place at or across the electrode–electrolyte interface, where free charge carriers tunnel into or out of more localized electronic states (i.e., chemical bonds). This type of electric interface is essential for systems like fuel cells, electrolyzers, and the electrochemical production of chemicals and metals.

Electrocatalysis fundamentally investigates the adsorption properties of electrode materials (structure, composition) in combination with the kinetics and mechanism of electrochemical reactions.

Photoelectrocatalysis is gaining increasing importance as a key area of science and technology, enabling the efficient and sustainable use of solar energy through the integration of light-driven and electrochemical processes.

 

Further Links

Website of Prof. Mehtap Özaslan

Heterogeneous Photocatalysis at the Leibniz Institute for Catalysis

 

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Key concepts and fundamentals are available here:
Catalysis: From Principles to Applications

In der Biokatalyse werden Enzyme für eine Vielzahl chemisch-relevanter Reaktionen genutzt, da diese natürlichen Katalysatoren eine sehr breite Palette von Synthesen unter milden Reaktionsbedingungen katalysieren. Besonders vorteilhaft ist die Chemo-, Regio- und Stereoselektivität von Enzymen, die es erlaubt die gewünschten Produkte mit hoher (optischer) Reinheit herzustellen. Dadurch kann gegenüber chemischen Verfahren auf toxische Reagenzien wie Schwermetalle, Schutzgruppenchemie und meist auch auf organische Lösungsmittel verzichtet werden, wodurch biokatalytische Verfahren umweltfreundlicher sein können.

Während historisch natürliche Enzyme aus Mikroorganismen, Pflanzen und tierischen Extrakten isoliert wurden, erlauben es moderne biologische Methoden das gewünschte Enzym in industriellem Maßstab rekombinant z.B. im Bakterium E. coli oder der Hefe S. cerevisiae herzustellen. Durch Protein-Engineering lassen sich zudem Enzyme gezielt an die Anforderungen an ein industrielles Verfahren durch rationales Proteindesign (basierend auf der Raumstruktur des Enzyms) oder durch gerichtete Evolution (Nobelpreis für Chemie in 2018) anpassen. Die Biokatalyse wird technisch zur Herstellung von Riechstoffen und Aromen, in der Lebensmittelindustrie, in der organischen Synthese, Oleochemie und vor allem zur Herstellung von pharmazeutischen Wirkstoffen und deren Vorstufen in großem Maßstab genutzt. Auch in Waschmitteln finden Enzyme (Proteasen, Amylasen, Cellulasen, Lipasen) Anwendung als Biokatalysatoren, um Anschmutzungen unter milden Bedingungen zu entfernen und leisten auch hier einen wesentlichen Beitrag zum Umweltschutz.

 

Links zum Thema

Grundlagen zur Biokatalyse

Nobelpreis Chemie 2018

Webseite U. Bornscheuer

 

Weiteres

Möchten Sie mehr erfahren?

Die wichtigsten Grundlagen sind hier zu finden: Biokatalysatoren und Enzymtechnologie

In more than 80% of industrial chemical processes, catalysts are used. A catalyst increases the reaction rate and improves yield—without being consumed in the reaction. Due to the variety of chemical processes and catalyst types, there is a broad range of chemical reactors and equipment designed to ensure safe and efficient catalytic operations.

In addition to the effective contact and mixing of reactants with the catalyst, heat transfer and flow characteristics—especially narrow residence time distribution—play a crucial role in reactor selection. Reactants must be properly conditioned, and the resulting reaction mixture needs to be efficiently processed and separated. In many cases, the separation and recycling of reactants or catalyst materials determine the economic viability of a process.

Process development for a specific product typically begins in the laboratory, with extensive experimental work supported by analytical methods and simulations. Once optimized, the process is scaled up to the pilot plant level, and often through several stages, into full production. From the lab onward—and especially at pilot scale—sensors, analytical technologies, and the process control system become increasingly important for optimal process operation.

A wide variety of separation techniques are available for processing reaction mixtures, depending on the phases involved, concentrations of components, and the energy required. Here, too, recycling streams and energy/material integration are key to achieving economically and environmentally sustainable processes.

 

Further Links

ProcessNet – Platform for Process Engineering and Industrial Chemistry

ENPRO – Energy Efficiency and Process Acceleration for the Chemical Industry

KEEN – AI Incubator Labs in the Process Industry

Website of Prof. Norbert Kockmann | TU Dortmund – Equipment Design Group

 

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Key principles and fundamentals are available here:
Technical Chemistry

Planned National Data Infrastructure

A key goal of NFDI4Cat is the development and implementation of both local and cross-cutting data infrastructures, as illustrated in the accompanying figure. This includes a distributed repository infrastructure and additional services—both local and community-wide—that are essential for creating a national environment for catalysis-related research data.

To ensure sustainability and future-readiness, the infrastructure will be built on existing standards and principles, and will be aligned with efforts from other NFDI consortia and scientific communities. Open-source solutions based on modern technologies, especially knowledge graphs, will be prioritized.

Cross-Cutting Data Infrastructure

A distributed repository infrastructure will serve as the backbone of the national data infrastructure. A layered architecture is planned, consisting of:

  • a distributed storage layer, enabling local data storage at various sites

  • a repository layer, featuring a new central repository along with site-specific repositories tailored to particular needs

  • a presentation layer, offering a unified access point to openly available metadata and data across the system

Additional shared services will be provided to support the needs of the NFDI4Cat community.

Local Data Infrastructures

In addition to this national backbone, local infrastructures will be developed to support the entire research data lifecycle—from collection and creation to processing, analysis, archiving, access, and reuse. Several pilot laboratories from various catalysis sub-disciplines will implement and test these local setups. Other groups within the community will benefit from the pilots—through shared experience and by reusing selected services.

 

Further Links

State of Open Data – Data Infrastructure

Open Data Institute