An Ab Initio RRKM-Based Master Equation Study for Kinetics of OH-Initiated Oxidation of 2-Methyltetrahydrofuran and Its Implications in Kinetic Modeling
Cyclic ethers (CEs) can be promising future biofuel candidates. Most CEs possess physico-chemical and combustion indicators comparable to conventional fuels, making them suitable for internal combustion engines. This work computationally investigates the kinetic behaviors of hydrogen abstraction fro...
Main Authors: | , , , , , , , |
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Format: | Article |
Language: | English |
Published: |
MDPI
2023
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Subjects: | |
Online Access: | View Fulltext in Publisher |