Multi-scale computational fluid dynamics (CFD) simulation bridges the gaps between
particle and reactor scales in the modeling of biomass pyrolysis. Its accuracy depends on …

In this work, the co-pyrolysis behaviors of polyvinyl chloride (PVC) with coal were
investigated using the reactive molecular dynamics (ReaxFF MD) simulations. The weight …

To reduce CO 2 emissions in power plants, the co-firing of ammonia (NH 3) and coal in
boiler has received increasing attention in industry and academia. In this work, char/NH 3 co …

Lignocellulosic biomass char gasification plays an irreplaceable role in alleviating
environmental problems caused by greenhouse effects. Elucidating the molecular-scale …

The co-pyrolysis behavior of coal and polypropylene (PP) was investigated by reactive force
field molecular dynamics (ReaxFF MD) simulation in the present study. In addition to …

Gasification is the key process of biomass conversion and utilization, which has been
proved to be one of the most promising technologies. In this study, the CO 2 gasification …

Abstract Alkyl-substituted 1, 3-dioxolanes, including 4, 5-dimethyl-2-pentan-3-yl-1, 3-
dioxolane (Fuel 1), 4, 5-dimethyl-2-pentyl-1, 3-dioxolane (Fuel 2), and 2-(heptan-3-yl)-4, 5 …

Nitrogen, as a common element, is widely present in biomass. The effects of nitrogenous
substances on the same origin pyrolysis of biomass and the consequences of N-containing …

In this work, reactive force field molecular dynamics (ReaxFF MD) simulations are performed
to study competitive and synergistic effects and their impact on CO, CO2, unburned carbon …

Biomass has played an increasingly important role in the consumption of energy worldwide
because of its renewability and carbon-neutral property. In this work, the pyrolysis …