Concepedia

Exploration of the synergistic effect of co-pyrolysis of biomass and waste plastics based on ReaxFF-MD and DFT

Weiwei Xuan, Chun Cao, Yanwu Dong, Dehong Xia

Journal of the Energy Institute · 2023 · 35 citations · 37 references

DOI

Concepts

References

37

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

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The Nose–Hoover thermostat

D.J. Evans, Brad Lee Holian · The Journal of Chemical Physics · 1985 · 3.5K citations

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ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation

Kimberly Chenoweth, Adri C. T. van Duin, William A. Goddard · The Journal of Physical Chemistry A · 2008 · 2.6K citations

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Bio-oil production via co-pyrolysis of almond shell as biomass and high density polyethylene

Eylem Önal, Başak Burcu Uzun, Ayşe Eren Pütün · Energy Conversion and Management · 2013 · 342 citations

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Revealing pyrolysis chemistry for biofuels production: Conversion of cellulose to furans and small oxygenates

Matthew S. Mettler, Samir H. Mushrif, Alex D. Paulsen et al. · Energy & Environmental Science · 2011 · 319 citations · Full text

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