Molecular insight into pyrolysis processes via reactive force field molecular dynamics: A state-of-the-art review
Author:
Publisher
Elsevier BV
Subject
Analytical Chemistry,Fuel Technology
Reference182 articles.
1. ReaxFF molecular dynamics simulations of thermal reactivity of various fuels in pyrolysis and combustion;Li;Energy Fuels,2021
2. The mechanism of CO2 chemisorption on zigzag carbon active sites: a computational chemistry study;Radovic;Carbon,2005
3. Structures and NMR spectra of short amylose-lipid complexes. Insight using molecular dynamics and DFT quantum chemical calculations;Schahl;Carbohydr. Polym.,2020
4. Reactive molecular dynamics simulations of biomass pyrolysis and combustion under various oxidative and humidity environments;Chen;Ind. Eng. Chem. Res.,2017
5. Molecular dynamics simulation of the pyrolysis mechanism for polycarbonate;Zhao;Energy Fuels,2018
Cited by 33 articles. 订阅此论文施引文献 订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献
1. Insights into the combustion mechanisms of turpentine oil based on ReaxFF molecular dynamics simulations;Fuel;2025-01
2. Insight into the molecular structure construction and pyrolysis mechanism simulation of typical carbonaceous feedstocks for the rapid design and preparation of porous carbon-based materials;Fuel;2025-01
3. Thermal decomposition behaviors of adamantane and 1-methyladamantane in oxygen atmosphere: ReaxFF molecular dynamics simulation;Fuel;2024-11
4. Atomic oxygen erosion mechanism of polyimide via reactive molecular dynamics simulation and density functional theory calculation;Polymer Degradation and Stability;2024-10
5. Co-pyrolysis of subbituminous coal and lignin at isothermal and non-isothermal conditions: A ReaxFF molecular dynamics simulation;Journal of the Energy Institute;2024-10
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线，采集、加工和组织学术论文而形成的新型学术文献查询和分析系统，可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容，当前同舟云学术共收录了国内外主流学术期刊6万余种，收集的期刊论文及会议论文总量共计约1.5亿篇，并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询！咨询电话：010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3