The synergistic effect during co-combustion of municipal sludge and coal: Experimental and ReaxFF molecular dynamic study

Reactive force field (ReaxFF) molecular dynamics investigation of bituminous coal combustion under oxygen-deficient conditions

(2022) Yang Xiao et al.   FUEL

Chemical Effect of CH4 on NH3 Combustion in an O2/N2 Environment Via ReaxFF

(2021) Qi Zhang et al.   ENERGY & FUELS

Construction of a coal char model and its combustion and gasification characteristics: Molecular dynamic simulations based on ReaxFF

(2021) Dikun Hong et al.   FUEL

ReaxFF study on combustion mechanism of ethanol/nitromethane

(2021) Liang Song et al.   FUEL

Kinetic characteristics and reactive behaviors of HSW vitrinite coal pyrolysis: A comprehensive analysis based on TG-MS experiments, kinetics models and ReaxFF MD simulations

(2021) Hongcun Bai et al.   Energy Reports

Formation and Reduction of NO2 in Fixed Bed Combustion of Coal Char under Oxy–Fuel Conditions: Experimental and Density Functional Theory Analysis

(2020) Shuang Yue et al.   ENERGY & FUELS

Insight into the calcium carboxylate release behavior during Zhundong coal pyrolysis and combustion

(2020) Dikun Hong et al.   PROCEEDINGS OF THE COMBUSTION INSTITUTE

ReaxFF simulations of the synergistic effect mechanisms during co-pyrolysis of coal and polyethylene/polystyrene

(2020) Dikun Hong et al.   ENERGY

Bottom ash characteristics and pollutant emission during the co-combustion of pulverized coal with high mass-percentage sewage sludge

(2019) Zhenghui Zhao et al.   ENERGY

Reactive force field molecular dynamics (ReaxFF MD) simulation of coal oxy-fuel combustion

(2019) Yu Qiu et al.   POWDER TECHNOLOGY

Molecular dynamics investigation on the lignin gasification in supercritical water

(2019) Hanqing Li et al.   FUEL PROCESSING TECHNOLOGY

Investigation on the Evolution of the Coal Macromolecule in the Process of Combustion With the Molecular Dynamics Method

(2019) Bonan Xu et al.   JOURNAL OF ENERGY RESOURCES TECHNOLOGY-TRANSACTIONS OF THE ASME

Water assisted liquefaction of lignocellulose biomass by ReaxFF based molecular dynamic simulations

(2018) Sean C. Rismiller et al.   FUEL

Study of pyrolysis of brown coal and gasification of coal-water slurry using the ReaxFF reactive force field

(2018) Zhijun Zhou et al.   INTERNATIONAL JOURNAL OF ENERGY RESEARCH

ReaxFF simulations of petroleum coke sulfur removal mechanisms during pyrolysis and combustion

(2018) Qifan Zhong et al.   COMBUSTION AND FLAME

Co-combustion of Shenmu coal and pickling sludge in a pilot scale drop-tube furnace: Pollutants emissions in flue gas and fly ash

(2018) Shaorui Zhang et al.   FUEL PROCESSING TECHNOLOGY

Sludge Acts as a Catalyst for Coal during the Co-Combustion Process Investigated by Thermogravimetric Analysis

(2017) Wendi Chen et al.   Energies

Behavior of mercury emitted from the combustion of coal and dried sewage sludge: The effect of unburned carbon, Cl, Cu and Fe

(2017) Sang-Sup Lee et al.   FUEL

Co-combustion characteristics of municipal sewage sludge and bituminous coal

(2017) Shibo Niu et al.   JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY

Investigation of model scale effects on coal pyrolysis using ReaxFF MD simulation

(2017) Mo Zheng et al.   MOLECULAR SIMULATION

Thermochemical processing of sewage sludge to energy and fuel: Fundamentals, challenges and considerations

(2017) Syed Shatir A. Syed-Hassan et al.   RENEWABLE & SUSTAINABLE ENERGY REVIEWS

The investigation of co-combustion of sewage sludge and oil shale using thermogravimetric analysis

(2017) Yan Lin et al.   THERMOCHIMICA ACTA

Insights on the combustion and pyrolysis behavior of three different ranks of coals using reactive molecular dynamics simulation

(2016) Sanjukta Bhoi et al.   RSC Advances

Co-combustion characteristics of sewage sludge with different rank bituminous coals under the O2/CO2 atmosphere

(2015) Yousong Zhang et al.   JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY

Pyrolysis of a large-scale molecular model for Illinois no. 6 coal using the ReaxFF reactive force field

(2014) Fidel Castro-Marcano et al.   JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS

Coupled Thermal and Electromagnetic Induced Decomposition in the Molecular Explosive αHMX; A Reactive Molecular Dynamics Study

(2014) Mitchell A. Wood et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Combustion effects and emission characteristics of SO2, CO, NO x and heavy metals during co-combustion of coal and dewatered sludge

(2014) Yiying Jin et al.   Frontiers of Environmental Science & Engineering

Initial Chemical Reaction Simulation of Coal Pyrolysis via ReaxFF Molecular Dynamics

(2013) Mo Zheng et al.   ENERGY & FUELS

Using the ReaxFF reactive force field for molecular dynamics simulations of the spontaneous combustion of lignite with the Hatcher lignite model

(2013) Bo Chen et al.   FUEL

Combustion of an Illinois No. 6 coal char simulated using an atomistic char representation and the ReaxFF reactive force field

(2011) Fidel Castro-Marcano et al.   COMBUSTION AND FLAME

The molecular representations of coal – A review

(2011) Jonathan P. Mathews et al.   FUEL

Thermogravimetric analysis of the co-combustion of coal and paper mill sludge

(2010) Liao Yanfen et al.   APPLIED ENERGY

Utilization of sewage sludge in EU application of old and new methods—A review

(2006) D. Fytili et al.   RENEWABLE & SUSTAINABLE ENERGY REVIEWS