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Experimental and Reaxff Md Study on the Release Characteristics of Gaseous Sulfur During Pressurized Bituminous Coal Gasification

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Sulfur transformation mechanism during supercritical water gasification of black liquor
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Experimental and DFT study on the migration and transformation mechanism of nitrogen during the pyrolysis of food waste
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Experimental investigation on sulfur transformation during coal steam gasification with Ca-based absorbent
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Experimental and ReaxFF MD study on the release characteristics of gaseous nitrogen during pressurized bituminous coal gasification
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Characterization of organic nitrogen and sulfur in the oil shale kerogens
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A reactive molecular dynamics study of CH4 combustion in O2/CO2/H2O environments
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A review on migration and transformation of nitrogen during sewage sludge thermochemical treatment: Focusing on pyrolysis, gasification and combustion
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Molecular dynamic investigation on sulfur migration during hydrogen production by benzothiophene gasification in supercritical water
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Study on pyrolysis mechanism of coal in hydrogen-rich atmosphere based on reactive molecular dynamics simulation
inferredcites →https://doi.org/10.1016/j.jaap.2014.07.011openalex-snapshot
Pyrolysis of a large-scale molecular model for Illinois no. 6 coal using the ReaxFF reactive force field
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Effect of calcium on the secondary reactions of tar from Zhundong coal pyrolysis: A molecular dynamics simulation using ReaxFF
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Release of nitrogen and sulphur species from low-rank coal during entrained flow pyrolysis and gasification
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Simulation strategies for ReaxFF molecular dynamics in coal pyrolysis applications: A review
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Experimental study on sulfur-containing products in pressurised oxy-fuel pyrolysis of pulverised coal
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Molecular dynamic investigation on nitrogen migration during hydrogen production by indole gasification in supercritical water
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Using molecular dynamics simulations with a ReaxFF reactive force field to develop a kinetic mechanism for ammonia borane oxidation
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The transformation and fate of sulphur during CO2 gasification of a spent tyre pyrolysis char
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Nitrogen evolution, NOX formation and reduction in pressurized oxy coal combustion
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Thermal runaway mechanisms and kinetics of benzene nitrification system based on microcalorimetry experiments and ReaxFF molecular dynamics simulation
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