| 1 |
Reactive force-field simulation of the effect of heating rate on pyrolysis behavior of lignite
Xu F, Wang Q, Wu C
Korean Journal of Chemical Engineering, 39(3), 576, 2022 |
| 2 |
Atomic insights into the thermal runaway process of hydrogen peroxide and 1,3,5-trimethybenzene mixture: Combining ReaxFF MD and DFT methods
Qian YN, Xu W, Zhan JH, Jia XW, Zhang F
Process Safety and Environmental Protection, 147, 578, 2021 |
| 3 |
Atomistic insight into the microexplosion-accelerated oxidation process of molten aluminum nanoparticles
Li G, Niu LL, Hao WZ, Liu Y, Zhang CY
Combustion and Flame, 214, 238, 2020 |
| 4 |
Effect of oxidation on crack propagation of Si nanofilm: A ReaxFF molecular dynamics simulation study
Sun Y, Zhai Z, Tian SH, Chen XF
Applied Surface Science, 480, 1100, 2019 |
| 5 |
Dynamic profiles of tar products during Naomaohu coal pyrolysis revealed by large-scale reactive molecular dynamic simulation
Zheng M, Li XX, Wang MJ, Guo L
Fuel, 253, 910, 2019 |
| 6 |
Mechanolysis mechanisms of the fused aromatic rings of anthracite coal under shear stress
Wang J, Guo GJ, Han YZ, Hou QL, Geng M, Zhang ZC
Fuel, 253, 1247, 2019 |
| 7 |
Initial reactivity differences between a 3-component surrogate model and a 24-component model for RP-1 fuel pyrolysis evaluated by ReaxFF MD
Han S, Li XX, Zheng M, Guo L
Fuel, 222, 753, 2018 |
| 8 |
Multistep pyrolysis behavior of core-shell type hyperbranched azide copolymer: Kinetics and reaction mechanism via experiment and simulation
Zhang GP, Li JQ, Zhang MY, Sun SX, Luo Y
Fuel, 224, 311, 2018 |
| 9 |
Numerical investigation of coal gasification in supercritical water with the ReaxFF molecular dynamics method
Jin HH, Xu BN, Li HQ, Ku XK, Fan JR
International Journal of Hydrogen Energy, 43(45), 20513, 2018 |
| 10 |
Micromechanism of oxygen transport during initial stage oxidation in Si(100) surface: A ReaxFF molecular dynamics simulation study
Sun Y, Liu YL, Chen XF, Zhai Z, Xu F, Liu YJ
Applied Surface Science, 406, 178, 2017 |
