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Rational design of a methanation reactor by neutron imaging
Marin Nikolic1,2, Florian Kiefer1, Alessia Cesarini1,3
1Chemical Energy Carriers and Vehicle Systems Laboratory, Empa - Swiss Federal Laboratories for Material Science and Technology, Überlandstrasse 129, 8600 Dübendorf, Switzerland. marin.hrs@gmail.com.
Physical Chemistry Chemical Physics : PCCP
|April 15, 2025
Summary
Non-destructive neutron imaging and modeling quantify reactant and product distribution in industrial chemical reactors. This method optimizes reactor design and performance for reactions like carbon dioxide hydrogenation.
Area of Science:
- Chemical Engineering
- Materials Science
- Physics
Background:
- Industrial chemical reactors operate under conditions significantly different from laboratory scales.
- Analyzing full-scale reactors requires analytical methods to quantify in-situ reactant and product distribution.
- Understanding these differences is crucial for optimizing chemical processes and reactor design.
Purpose of the Study:
- To introduce and validate a non-destructive operando neutron imaging technique combined with modeling for analyzing chemical reactors.
- To investigate the hydrogenation of carbon dioxide to methane as a model reaction.
- To enable quantitative, spatially and temporally resolved measurements of reaction processes under operating conditions.
Main Methods:
- Utilizing non-destructive operando neutron imaging integrated with a chemical reactor setup.
- Employing neutron imaging to measure the distribution of adsorbed water on the catalyst during CO2 hydrogenation.
- Combining experimental neutron imaging data with computational modeling for analysis and simulation.
Main Results:
- Successfully measured the temporal distribution of adsorbed water on the catalyst under industrial-like operating conditions (p, T).
- Quantitatively determined the partial pressure of water, indirectly enabling the assessment of spatial and temporal conversion.
- Demonstrated good agreement between simulation results and experimental neutron imaging data.
Conclusions:
- Operando neutron imaging combined with modeling is a reliable method for reactor characterization and design.
- The technique provides valuable insights for optimizing reactor dimensions and reaction conditions.
- This approach holds promise for application in analyzing industrial-scale chemical reactors.

