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Radical Formation: Homolysis

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Updated: Jun 20, 2026

Hydrogen Production and Utilization in a Membrane Reactor

Hydrogen Production and Utilization in a Membrane Reactor

Published on: March 10, 2023

Direct versus hydrogen-assisted CO dissociation.

Sharan Shetty¹, Antonius P J Jansen, Rutger A van Santen

¹Institute of Complex Molecular Systems, Eindhoven University of Technology, P.O. Box 513, 5600 MB Eindhoven, The Netherlands. s.g.shetty@tue.nl

Journal of the American Chemical Society

|August 21, 2009

Summary

Direct carbon monoxide dissociation on ruthenium surfaces initiates the Fischer-Tropsch process. This pathway has a lower energy barrier than hydrogen-assisted routes, clarifying a key step in synthesizing liquid hydrocarbons.

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Area of Science:

Catalysis
Surface Science
Chemical Engineering

Background:

The Fischer-Tropsch (F-T) process is crucial for converting synthesis gas into liquid hydrocarbons.
Understanding the mechanism of carbon monoxide (CO) dissociation is vital for optimizing the F-T process.
Previous studies have focused on hydrogen-assisted pathways for CO dissociation.

Purpose of the Study:

To investigate the mechanism of CO dissociation on corrugated ruthenium (Ru) surfaces.
To compare the energy barriers of direct CO dissociation versus hydrogen-assisted pathways.
To determine the primary initiation step of the F-T process on specific Ru surface structures.

Main Methods:

Computational modeling of CO dissociation on corrugated Ru surfaces.
Analysis of reaction pathways involving direct CO dissociation.
Comparison of energy barriers for direct CO dissociation and hydrogen-assisted routes (via HCO or COH intermediates).

Main Results:

Direct CO dissociation on corrugated Ru surfaces with sixfold sites has a significantly lower energy barrier.
Hydrogen-assisted pathways (via HCO or COH) present higher energy barriers.
The proposed mechanism clarifies the initial step in the F-T process on these surfaces.

Conclusions:

The F-T process on corrugated Ru surfaces and nanoparticles with active sixfold sites initiates via direct CO dissociation.
Direct CO dissociation is kinetically favored over hydrogenated intermediates.
This finding provides a fundamental understanding for designing more efficient F-T catalysts.