Concepedia

Formation of soot particles in methane and ethylene combustion: A reactive molecular dynamics study

Yang Wang, Mingyan Gu, Jiajia Wu, Cao Ling, Yuyu Lin, Xiangyong Huang

International Journal of Hydrogen Energy · 2021 · 32 citations · 43 references

DOI

Concepts

References

43

Molecular dynamics with coupling to an external bath

Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren et al. · The Journal of Chemical Physics · 1984 · 31K citations · Full text

, , +17

ReaxFF:  A Reactive Force Field for Hydrocarbons

Adri C. T. van Duin, Siddharth Dasgupta, François Lorant et al. · The Journal of Physical Chemistry A · 2001 · 6.3K citations

, , +17

Empirical potential for hydrocarbons for use in simulating the chemical vapor deposition of diamond films

Donald W. Brenner · Physical review. B, Condensed matter · 1990 · 4K citations

, , +17

Reaction mechanism of soot formation in flames

Michael Frenklach · Physical Chemistry Chemical Physics · 2002 · 1.5K citations

, , +17

Kinetic modeling of soot formation with detailed chemistry and physics: laminar premixed flames of C2 hydrocarbons

Jörg Appel, H. Bockhorn, Michael Frenklach · Combustion and Flame · 2000 · 1.3K citations

, , +17