Supplementary data for the mechanism research for depolymerization of cellulose induced by hydroxyl radical using GC–MS, reaction kinetics simulation and quantum chemistry computation
This data article contains the chemical structure of cellobiose, which was chosen as the model molecule of cellulose. A brief diagram of the reaction system established by Packmol containing celluloses, hydroxyl radicals and water for ReaxFF kinetic simulation as well as the energy change curve obta...
| Main Authors: | , , , , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2020-04-01
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| Series: | Data in Brief |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2352340920302237 |