A Predictive Model for Catalytic Methane Pyrolysis
Fuente:
arXiv
Guardado en:
| Autores principales: | Pototschnig, Ulrich, Matas, Martin, Scheiblehner, David, Neuschitzer, David, Obenaus-Emler, Robert, Antrekowitsch, Helmut, Holec, David |
|---|---|
| Formato: | Preprint |
| Publicado: |
2024
|
| Materias: | |
| Acceso en línea: | |
| Etiquetas: |
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