相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。Reactive force field (ReaxFF) molecular dynamics investigation of bituminous coal combustion under oxygen-deficient conditions
Yang Xiao et al.
FUEL (2022)
Insight into the calcium carboxylate release behavior during Zhundong coal pyrolysis and combustion
Dikun Hong et al.
PROCEEDINGS OF THE COMBUSTION INSTITUTE (2021)
ReaxFF study on combustion mechanism of ethanol/nitromethane
Liang Song et al.
FUEL (2021)
ReaxFF simulations of the synergistic effect mechanisms during co-pyrolysis of coal and polyethylene/polystyrene
Dikun Hong et al.
ENERGY (2021)
Kinetic characteristics and reactive behaviors of HSW vitrinite coal pyrolysis: A comprehensive analysis based on TG-MS experiments, kinetics models and ReaxFF MD simulations
Hongcun Bai et al.
ENERGY REPORTS (2021)
Chemical Effect of CH4 on NH3 Combustion in an O2/N2 Environment Via ReaxFF
Qi Zhang et al.
ENERGY & FUELS (2021)
Construction of a coal char model and its combustion and gasification characteristics: Molecular dynamic simulations based on ReaxFF
Dikun Hong et al.
FUEL (2021)
Thermochemical conversion of sewage sludge for energy and resource recovery: technical challenges and prospects
Mian Hu et al.
ENVIRONMENTAL POLLUTANTS AND BIOAVAILABILITY (2021)
Reactive force field molecular dynamics (ReaxFF MD) simulation of coal oxy-fuel combustion
Yu Qiu et al.
POWDER TECHNOLOGY (2020)
Investigation on the Evolution of the Coal Macromolecule in the Process of Combustion With the Molecular Dynamics Method
Bonan Xu et al.
JOURNAL OF ENERGY RESOURCES TECHNOLOGY-TRANSACTIONS OF THE ASME (2020)
Formation and Reduction of NO2 in Fixed Bed Combustion of Coal Char under Oxy-Fuel Conditions: Experimental and Density Functional Theory Analysis
Shuang Yue et al.
ENERGY & FUELS (2020)
Co-combustion of Shenmu coal and pickling sludge in a pilot scale drop-tube furnace: Pollutants emissions in flue gas and fly ash
Shaorui Zhang et al.
FUEL PROCESSING TECHNOLOGY (2019)
Molecular dynamics investigation on the lignin gasification in supercritical water
Hanqing Li et al.
FUEL PROCESSING TECHNOLOGY (2019)
Bottom ash characteristics and pollutant emission during the co-combustion of pulverized coal with high mass-percentage sewage sludge
Zhenghui Zhao et al.
ENERGY (2019)
Co-combustion characteristics of municipal sewage sludge and bituminous coal
Shibo Niu et al.
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY (2018)
Water assisted liquefaction of lignocellulose biomass by ReaxFF based molecular dynamic simulations
Sean C. Rismiller et al.
FUEL (2018)
Study of pyrolysis of brown coal and gasification of coal-water slurry using the ReaxFF reactive force field
Zhijun Zhou et al.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH (2018)
ReaxFF simulations of petroleum coke sulfur removal mechanisms during pyrolysis and combustion
Qifan Zhong et al.
COMBUSTION AND FLAME (2018)
Sludge Acts as a Catalyst for Coal during the Co-Combustion Process Investigated by Thermogravimetric Analysis
Wendi Chen et al.
ENERGIES (2017)
Behavior of mercury emitted from the combustion of coal and dried sewage sludge: The effect of unburned carbon, Cl, Cu and Fe
Sang-Sup Lee et al.
FUEL (2017)
Investigation of model scale effects on coal pyrolysis using ReaxFF MD simulation
Mo Zheng et al.
MOLECULAR SIMULATION (2017)
Thermochemical processing of sewage sludge to energy and fuel: Fundamentals, challenges and considerations
Syed Shatir A. Syed-Hassan et al.
RENEWABLE & SUSTAINABLE ENERGY REVIEWS (2017)
The investigation of co-combustion of sewage sludge and oil shale using thermogravimetric analysis
Yan Lin et al.
THERMOCHIMICA ACTA (2017)
Insights on the combustion and pyrolysis behavior of three different ranks of coals using reactive molecular dynamics simulation
Sanjukta Bhoi et al.
RSC ADVANCES (2016)
Combustion effects and emission characteristics of SO2, CO, NO x and heavy metals during co-combustion of coal and dewatered sludge
Yiying Jin et al.
FRONTIERS OF ENVIRONMENTAL SCIENCE & ENGINEERING (2016)
Co-combustion characteristics of sewage sludge with different rank bituminous coals under the O-2/CO2 atmosphere
Yousong Zhang et al.
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY (2015)
Using the ReaxFF reactive force field for molecular dynamics simulations of the spontaneous combustion of lignite with the Hatcher lignite model
Bo Chen et al.
FUEL (2014)
Pyrolysis of a large-scale molecular model for Illinois no. 6 coal using the ReaxFF reactive force field
Fidel Castro-Marcano et al.
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS (2014)
Coupled Thermal and Electromagnetic Induced Decomposition in the Molecular Explosive αHMX; A Reactive Molecular Dynamics Study
Mitchell A. Wood et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2014)
Initial Chemical Reaction Simulation of Coal Pyrolysis via ReaxFF Molecular Dynamics
Mo Zheng et al.
ENERGY & FUELS (2013)
Combustion of an Illinois No. 6 coal char simulated using an atomistic char representation and the ReaxFF reactive force field
Fidel Castro-Marcano et al.
COMBUSTION AND FLAME (2012)
The molecular representations of coal - A review
Jonathan P. Mathews et al.
FUEL (2012)
Thermogravimetric analysis of the co-combustion of coal and paper mill sludge
Liao Yanfen et al.
APPLIED ENERGY (2010)
Utilization of sewage sludge in EU application of old and new methods - A review
D. Fytili et al.
RENEWABLE & SUSTAINABLE ENERGY REVIEWS (2008)
Effects of sewage sludge blending on the coal combustion:: A thermogravimetric assessment
M. Otero et al.
CHEMOSPHERE (2007)
Effect of inorganic matter on reactivity and kinetics of coal pyrolysis
QR Liu et al.
FUEL (2004)
Construction of a model structure for upper freeport coal using C-13 NMR chemical shift calculations
T Takanohashi et al.
ENERGY & FUELS (2002)
ReaxFF: A reactive force field for hydrocarbons
ACT van Duin et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2001)
分享论文
