Molecular simulation on mechanism of thiophene hydrodesulfurization on surface of NiP
Hydrodesulfurization reaction, as the last step of hydrothermal cracking reaction, is of great significance for the reduction of viscosity and desulfurization of heavy oil. Based on Density Functional Theory and using Dmol3 module of Materials Studio, this research simulated the adsorption and hydro...
| Main Authors: | , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
SAGE Publishing
2021-05-01
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| Series: | Energy Exploration & Exploitation |
| Online Access: | https://doi.org/10.1177/0144598721994950 |