Initial pyrolysis mechanism of cellulose revealed by in-situ DRIFT analysis and theoretical calculation
Sign Up to like & getrecommendations! Published in 2019 at "Combustion and Flame"
DOI: 10.1016/j.combustflame.2019.07.009
Abstract: Abstract Cellulose is one of the major components of biomass. The study on its pyrolysis process will be beneficial to the in-depth understanding of biomass pyrolysis mechanism. In this work, in-situ diffuse reflectance infrared Fourier… read more here.
Keywords: spectroscopy; pyrolysis mechanism; pyrolysis; situ drift ... See more keywords
ReaxFF-based molecular dynamics simulation of the initial pyrolysis mechanism of lignite
Sign Up to like & getrecommendations! Published in 2019 at "Fuel Processing Technology"
DOI: 10.1016/j.fuproc.2019.106147
Abstract: Abstract In this paper, a series of ReaxFF molecular dynamics (ReaxFF-MD) simulations were employed to explore the characteristics of pyrolysis products, transformation behavior of major elements, and thermal decomposition mechanism of lignite. The results suggest… read more here.
Keywords: pyrolysis mechanism; molecular dynamics; mechanism; reaxff based ... See more keywords
A hybrid pyrolysis mechanism of phenol formaldehyde and kinetics evaluation using isoconversional methods and genetic algorithm
Sign Up to like & getrecommendations! Published in 2020 at "Thermochimica Acta"
DOI: 10.1016/j.tca.2020.178708
Abstract: Abstract This contribution experimentally and numerically investigates the thermal decomposition of phenol formaldehyde (PF) through thermogravimetric method coupling a new hybrid pyrolysis mechanism. Complicated pyrolysis process associated with at least 6 reactions was observed and… read more here.
Keywords: pyrolysis; hybrid pyrolysis; phenol formaldehyde; isoconversional methods ... See more keywords
Cellulose Pyrolysis Mechanism Based on Functional Group Evolutions by Two-Dimensional Perturbation Correlation Infrared Spectroscopy
Sign Up to like & getrecommendations! Published in 2020 at "Energy & Fuels"
DOI: 10.1021/acs.energyfuels.0c00134
Abstract: To understanding the biomass pyrolysis process in depth, the pyrolysis mechanism of cellulose was investigated based on the combination of gas and liquid product releasing behavior with the structu... read more here.
Keywords: pyrolysis; cellulose pyrolysis; spectroscopy; mechanism based ... See more keywords
DFT Study on the Dibenzothiophene Pyrolysis Mechanism in Petroleum
Sign Up to like & getrecommendations! Published in 2019 at "Energy & Fuels"
DOI: 10.1021/acs.energyfuels.9b01498
Abstract: Dibenzothiophene sulfur (DBTs), the most stable sulfur species, is present in remarkable concentration in petroleum. Removal of DBTs is with profound significance in environmental protection. In th... read more here.
Keywords: pyrolysis mechanism; dft study; dibenzothiophene pyrolysis; petroleum ... See more keywords
A reactive molecular dynamics study of the pyrolysis mechanism of C6F12O
Sign Up to like & getrecommendations! Published in 2021 at "Molecular Physics"
DOI: 10.1080/00268976.2021.1976425
Abstract: C6F12O (perfluoro-2-methyl-3-pentanone) is a high-potential environmentally friendly substitute agent applied in fire protection, the power industry and refrigeration. Herein, a series of reactive ... read more here.
Keywords: reactive molecular; mechanism c6f12o; dynamics study; molecular dynamics ... See more keywords