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Updated: Sep 26, 2025

Combustion Chemistry of Fuels: Quantitative Speciation Data Obtained from an Atmospheric High-temperature Flow Reactor with Coupled Molecular-beam Mass Spectrometer
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Combustion Chemistry of Fuels: Quantitative Speciation Data Obtained from an Atmospheric High-temperature Flow Reactor with Coupled Molecular-beam Mass Spectrometer

Published on: February 19, 2018

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High-temperature thermal decomposition of iso-octane based on reactive molecular dynamics simulations

Yulei Guan1, Yanyan Gao2, Junpeng Lou2

  • 1School of Chemical Engineering, Northwest University, Xi'an, 710069, China. guanyl@nwu.edu.cn.

Journal of Molecular Modeling
|April 22, 2022
PubMed

Keywords:
Computational chemistryIso-OctaneKinetic analysisMolecular dynamicsThermal decomposition

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