基于纳米反应器方法探究 H2 和 JP-10 的燃烧反应机理

Bingxin Deng; Xiaoya Chang; Qingzhao Chu; Dongping Chen

基于纳米反应器方法探究 H₂ 和 JP-10 的燃烧反应机理

Translated title of the contribution: Exploring the Combustion Reaction Mechanism of H₂ and JP-10 Based on the Nanoreactor Method

Bingxin Deng, Xiaoya Chang, Qingzhao Chu, Dongping Chen^*

^*Corresponding author for this work

School of Mechatronical Engineering

Beijing Institute of Technology

Research output: Contribution to journal › Article › peer-review

Abstract

The nanoreactor method accelerates chemical reactions by simulating the periodic compression movement of a piston, efficiently discovering new reaction intermediates and mechanisms without predefining reaction coordinates and basic steps. In this study, the combustion reaction processes of hydrogen and JP-10 are simulated using both the nanoreactor method and molecular dynamics. The nanoreactor method is found to efficiently reveal the combustion reaction pathways of reactants, while also discovering some new elementary reactions during the simulation of JP-10.

Translated title of the contribution	Exploring the Combustion Reaction Mechanism of H₂ and JP-10 Based on the Nanoreactor Method
Original language	Chinese (Traditional)
Pages (from-to)	3544-3551
Number of pages	8
Journal	Kung Cheng Je Wu Li Hsueh Pao/Journal of Engineering Thermophysics
Volume	45
Issue number	11
Publication status	Published - Nov 2024

Cite this

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title = "基于纳米反应器方法探究 H2 和 JP-10 的燃烧反应机理",

abstract = "The nanoreactor method accelerates chemical reactions by simulating the periodic compression movement of a piston, efficiently discovering new reaction intermediates and mechanisms without predefining reaction coordinates and basic steps. In this study, the combustion reaction processes of hydrogen and JP-10 are simulated using both the nanoreactor method and molecular dynamics. The nanoreactor method is found to efficiently reveal the combustion reaction pathways of reactants, while also discovering some new elementary reactions during the simulation of JP-10.",

keywords = "combustion reaction mechanism, molecular dynamics, nanoreactor",

author = "Bingxin Deng and Xiaoya Chang and Qingzhao Chu and Dongping Chen",

year = "2024",

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journal = "Kung Cheng Je Wu Li Hsueh Pao/Journal of Engineering Thermophysics",

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AU - Deng, Bingxin

AU - Chang, Xiaoya

AU - Chu, Qingzhao

AU - Chen, Dongping

PY - 2024/11

Y1 - 2024/11

N2 - The nanoreactor method accelerates chemical reactions by simulating the periodic compression movement of a piston, efficiently discovering new reaction intermediates and mechanisms without predefining reaction coordinates and basic steps. In this study, the combustion reaction processes of hydrogen and JP-10 are simulated using both the nanoreactor method and molecular dynamics. The nanoreactor method is found to efficiently reveal the combustion reaction pathways of reactants, while also discovering some new elementary reactions during the simulation of JP-10.

AB - The nanoreactor method accelerates chemical reactions by simulating the periodic compression movement of a piston, efficiently discovering new reaction intermediates and mechanisms without predefining reaction coordinates and basic steps. In this study, the combustion reaction processes of hydrogen and JP-10 are simulated using both the nanoreactor method and molecular dynamics. The nanoreactor method is found to efficiently reveal the combustion reaction pathways of reactants, while also discovering some new elementary reactions during the simulation of JP-10.

KW - combustion reaction mechanism

KW - molecular dynamics

KW - nanoreactor

UR - http://www.scopus.com/inward/record.url?scp=85210519173&partnerID=8YFLogxK

M3 - 文章

AN - SCOPUS:85210519173

SN - 0253-231X

VL - 45

SP - 3544

EP - 3551

JO - Kung Cheng Je Wu Li Hsueh Pao/Journal of Engineering Thermophysics

JF - Kung Cheng Je Wu Li Hsueh Pao/Journal of Engineering Thermophysics

IS - 11

ER -

基于纳米反应器方法探究 H₂ 和 JP-10 的燃烧反应机理

Abstract

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