Vote for your favorite mineral in #MinCup25! - Zunyite vs. Molybdenite
It's the visually-unmistakable #zunyite vs the physically funky #molybdenite.
Log InRegister
Quick Links : The Mindat ManualThe Rock H. Currier Digital LibraryMindat Newsletter [Free Download]
Home PageAbout MindatThe Mindat ManualHistory of MindatCopyright StatusWho We AreContact UsAdvertise on Mindat
Donate to MindatCorporate SponsorshipSponsor a PageSponsored PagesMindat AdvertisersAdvertise on Mindat
Learning CenterWhat is a mineral?The most common minerals on earthInformation for EducatorsMindat ArticlesThe ElementsThe Rock H. Currier Digital LibraryGeologic Time
Minerals by PropertiesMinerals by ChemistryAdvanced Locality SearchRandom MineralRandom LocalitySearch by minIDLocalities Near MeSearch ArticlesSearch GlossaryMore Search Options
Search For:
Mineral Name:
Locality Name:
Keyword(s):
 
The Mindat ManualAdd a New PhotoRate PhotosLocality Edit ReportCoordinate Completion ReportAdd Glossary Item
Mining CompaniesStatisticsUsersMineral MuseumsClubs & OrganizationsMineral Shows & EventsThe Mindat DirectoryDevice SettingsThe Mineral Quiz
Photo SearchPhoto GalleriesSearch by ColorNew Photos TodayNew Photos YesterdayMembers' Photo GalleriesPast Photo of the Day GalleryPhotography

Gao, Yanyan, Guo, Ying, Guan, Yulei, Ma, Haixia (2023) New insights into the carbon chain structure of alcohol on the combustion of diesel surrogates using ReaxFF molecular dynamics simulations. Chemical Physics, 574. Elsevier BV. 112035 doi:10.1016/j.chemphys.2023.112035

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleNew insights into the carbon chain structure of alcohol on the combustion of diesel surrogates using ReaxFF molecular dynamics simulations
JournalChemical Physics
AuthorsGao, YanyanAuthor
Guo, YingAuthor
Guan, YuleiAuthor
Ma, HaixiaAuthor
Year2023 (October)Volume574
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2023.112035Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID16647573Long-form Identifiermindat:1:5:16647573:9
GUID0
Full ReferenceGao, Yanyan, Guo, Ying, Guan, Yulei, Ma, Haixia (2023) New insights into the carbon chain structure of alcohol on the combustion of diesel surrogates using ReaxFF molecular dynamics simulations. Chemical Physics, 574. Elsevier BV. 112035 doi:10.1016/j.chemphys.2023.112035
Plain TextGao, Yanyan, Guo, Ying, Guan, Yulei, Ma, Haixia (2023) New insights into the carbon chain structure of alcohol on the combustion of diesel surrogates using ReaxFF molecular dynamics simulations. Chemical Physics, 574. Elsevier BV. 112035 doi:10.1016/j.chemphys.2023.112035
In(2023) Chemical Physics Vol. 574. Elsevier BV

See Also

These are possibly similar items as determined by title/reference text matching only.

Qian, Junping, Zheng, Peiru, Ma, Yingjie, Zhang, Xingfan, Huang, Jian, Zhang, Di, Li, Zhichao, Jiang, Yanyan, Wu, Weikang, Li, Hui (2023) Formation and growth kinetics of the initial amorphous oxide film on the aluminum melt: A ReaxFF molecular dynamics simulation. Computational Materials Science, 220. 112035 doi:10.1016/j.commatsci.2023.112035
Rahimi, Rezvan, Solimannejad, Mohammad (2023) Sensing response of pentagonal B2C nanosheet towards VOCs: A study combining DFT and molecular dynamics simulations. Chemical Physics, 574. Elsevier BV. 112042 doi:10.1016/j.chemphys.2023.112042
Guo, Ying, Shi, Hui, Liu, Hao, Xie, Yongqian, Guan, Yulei (2023) Reactive molecular dynamics simulation and chemical kinetic modeling of ammonia/methane co-combustion. Fuel, 354. 129341 doi:10.1016/j.fuel.2023.129341
Liu, Yalan, Zhang, He, Shao, Youxiang (2025) Atomistic insights into the pyrolysis characteristics of cis-pinane by ReaxFF molecular dynamics simulation. Chemical Physics, 593. doi:10.1016/j.chemphys.2025.112638
She, Chongchong, Zhang, Tiancheng, Gao, Jiaming, Wang, Zhi, Jin, Shaohua, Li, Lijie, Wang, Junfeng, Song, Liang, Chen, Pengwan, Chen, Kun (2025) Insights into the combustion mechanisms of turpentine oil based on ReaxFF molecular dynamics simulations. Fuel, 379. doi:10.1016/j.fuel.2024.132982
Godínez-Pastor, José Luis, González-Melchor, Minerva (2023) Behavior of the fullerene/water system under liquid and liquid–vapor conditions: A molecular dynamics approach. Chemical Physics, 574. Elsevier BV. 112025 doi:10.1016/j.chemphys.2023.112025
Bai, Dongsheng, Zhang, Jie (2024) ReaxFF molecular dynamics simulations of methane clathrate combustion. The Journal of Chemical Physics, 160 (9) doi:10.1063/5.0189469
Yuan, Shideng, Zhang, Hua, Wang, Yuxi, Ma, Ying, Yuan, Shiling (2021) Atomistic insights into heterogeneous reaction of hydrogen peroxide on alumina particles: Combining DFT calculation and ReaxFF molecular dynamics simulations. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 626. 127064pp. doi:10.1016/j.colsurfa.2021.127064
Wang, Xueping, Huang, Yiping, Li, Li, Huang, Liangliang, Chen, Xiangshu, Yang, Zhen (2021) Molecular-level insights into composition-dependent structure, dynamics, and hydrogen bonds of binary ionic liquid mixture from molecular dynamics simulations. Chemical Physics, 542. 111051pp. doi:10.1016/j.chemphys.2020.111051
Guan, Yulei, Lou, Junpeng, Liu, Ru, Ma, Haixia, Song, Jirong (2020) Reactive molecular dynamics simulation on thermal decomposition of n-heptane and methylcyclohexane initiated by nitroethane. Fuel, 261. 116447 doi:10.1016/j.fuel.2019.116447
Shi, Zhuoying, Jin, Zhuji, Guo, Xiaoguang, Yuan, Song, Guo, Jiang (2019) Insights into the atomistic behavior in diamond chemical mechanical polishing with OH environment using ReaxFF molecular dynamics simulation. Computational Materials Science, 166. 136-142 doi:10.1016/j.commatsci.2019.05.001
 
and/or  
Mindat.org is an outreach project of the Hudson Institute of Mineralogy, a 501(c)(3) not-for-profit organization.
Copyright © mindat.org and the Hudson Institute of Mineralogy 1993-2025, except where stated. Most political location boundaries are © OpenStreetMap contributors. Mindat.org relies on the contributions of thousands of members and supporters. Founded in 2000 by Jolyon Ralph.
To cite: Ralph, J., Von Bargen, D., Martynov, P., Zhang, J., Que, X., Prabhu, A., Morrison, S. M., Li, W., Chen, W., & Ma, X. (2025). Mindat.org: The open access mineralogy database to accelerate data-intensive geoscience research. American Mineralogist, 110(6), 833–844. doi:10.2138/am-2024-9486.
Privacy Policy - Terms & Conditions - Contact Us / DMCA issues - Report a bug/vulnerability Current server date and time: September 12, 2025 22:10:14
Go to top of page