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

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

^*此作品的通讯作者

机电学院

Beijing Institute of Technology

科研成果: 期刊稿件 › 文章 › 同行评审

1 引用（Scopus）

摘要

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.

投稿的翻译标题	Exploring the Combustion Reaction Mechanism of H₂ and JP-10 Based on the Nanoreactor Method
源语言	繁体中文
页（从-至）	3544-3551
页数	8
期刊	Kung Cheng Je Wu Li Hsueh Pao/Journal of Engineering Thermophysics
卷	45
期	11
出版状态	已出版 - 11月 2024

关键词

combustion reaction mechanism
molecular dynamics
nanoreactor

其它文件与链接

链接到 Scopus 的出版物

引用此

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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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language = "繁体中文",

volume = "45",

pages = "3544--3551",

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

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TY - JOUR

T1 - 基于纳米反应器方法探究 H2 和 JP-10 的燃烧反应机理

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 - https://www.scopus.com/pages/publications/85210519173

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

摘要

关键词

其它文件与链接

学术指纹

引用此

基于纳米反应器方法探究 H₂ 和 JP-10 的燃烧反应机理