The Experts below are selected from a list of 282 Experts worldwide ranked by ideXlab platform
Ling Zhao - One of the best experts on this subject based on the ideXlab platform.
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Initial Mechanism and Kinetics of Diesel Incomplete Combustion: ReaxFF Molecular Dynamics Based on a Multicomponent Fuel Model
The Journal of Physical Chemistry C, 2019Co-Authors: Zhuojun Chen, Weizhen Sun, Ling ZhaoAbstract:This work attempts to investigate the Incomplete Combustion of a multicomponent fuel model using ReaxFF-MD simulations. The main products of Incomplete Combustion simulation included H2, CO, H2O, and CO2. Temperatures produced different effects on different products. At lower temperatures, a larger increasing rate of the number of products was found at a later stage, whereas the increasing rate of the number of products would be diminished over time at higher temperatures. The pressure-dependent simulations indicated that the high pressure could promote the Combustion process, especially the production of H2. The analysis of mechanisms and pathways of the Combustion process indicated that the C–C bond dissociation dominated the early stage of the Combustion mechanism of paraffin, whereas isomerization, H-abstraction, and C–C bond formation were observed in other systems. Ethylene (C2H4) was the product of β-scission of paraffin and naphthene, whereas ethyne (C2H2) was the product of β-scission of aromatic...
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Initial Mechanism and Kinetics of Diesel Incomplete Combustion: ReaxFF Molecular Dynamics Based on a Multicomponent Fuel Model
2019Co-Authors: Zhuojun Chen, Weizhen Sun, Ling ZhaoAbstract:This work attempts to investigate the Incomplete Combustion of a multicomponent fuel model using ReaxFF-MD simulations. The main products of Incomplete Combustion simulation included H2, CO, H2O, and CO2. Temperatures produced different effects on different products. At lower temperatures, a larger increasing rate of the number of products was found at a later stage, whereas the increasing rate of the number of products would be diminished over time at higher temperatures. The pressure-dependent simulations indicated that the high pressure could promote the Combustion process, especially the production of H2. The analysis of mechanisms and pathways of the Combustion process indicated that the C–C bond dissociation dominated the early stage of the Combustion mechanism of paraffin, whereas isomerization, H-abstraction, and C–C bond formation were observed in other systems. Ethylene (C2H4) was the product of β-scission of paraffin and naphthene, whereas ethyne (C2H2) was the product of β-scission of aromatic structures. A huge fluctuation range was observed in the variation trends of •OH and ••CH2, which revealed the high reactivity of these two radicals. Besides, collision was the main reason for the initial formation of coke instead of thermal deposition in the gas phase under extremely high temperatures. This work further suggests that ReaxFF-MD is a promising approach for investigating the Combustion behavior of hydrocarbon models at high temperatures
Christoffer Bergvall - One of the best experts on this subject based on the ideXlab platform.
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Acute exposure to wood smoke from Incomplete Combustion - indications of cytotoxicity
Particle and fibre toxicology, 2015Co-Authors: Ala Muala, Gregory Rankin, Maria Sehlstedt, Jon Unosson, Jenny A. Bosson, Annelie F. Behndig, Jamshid Pourazar, Robin Nyström, Esbjörn Pettersson, Christoffer BergvallAbstract:Background Smoke from Combustion of biomass fuels is a major risk factor for respiratory disease, but the underlying mechanisms are poorly understood. The aim of this study was to determine whether exposure to wood smoke from Incomplete Combustion would elicit airway inflammation in humans.
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Polycyclic Aromatic Hydrocarbons (PAHs) with molecular weights g 252 u in particulate matter originating from a domestic heating system fuelled with wheat
2009Co-Authors: Christoffer Bergvall, Roger WesterholmAbstract:Polycyclic Aromatic Hydrocarbons (PAHs) are ubiquitous environmental pollutants formed during the Incomplete Combustion of organic matter in air. PAHs with molecular weights (Mw) < 302 u have pr ...
Zhuojun Chen - One of the best experts on this subject based on the ideXlab platform.
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Initial Mechanism and Kinetics of Diesel Incomplete Combustion: ReaxFF Molecular Dynamics Based on a Multicomponent Fuel Model
The Journal of Physical Chemistry C, 2019Co-Authors: Zhuojun Chen, Weizhen Sun, Ling ZhaoAbstract:This work attempts to investigate the Incomplete Combustion of a multicomponent fuel model using ReaxFF-MD simulations. The main products of Incomplete Combustion simulation included H2, CO, H2O, and CO2. Temperatures produced different effects on different products. At lower temperatures, a larger increasing rate of the number of products was found at a later stage, whereas the increasing rate of the number of products would be diminished over time at higher temperatures. The pressure-dependent simulations indicated that the high pressure could promote the Combustion process, especially the production of H2. The analysis of mechanisms and pathways of the Combustion process indicated that the C–C bond dissociation dominated the early stage of the Combustion mechanism of paraffin, whereas isomerization, H-abstraction, and C–C bond formation were observed in other systems. Ethylene (C2H4) was the product of β-scission of paraffin and naphthene, whereas ethyne (C2H2) was the product of β-scission of aromatic...
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Initial Mechanism and Kinetics of Diesel Incomplete Combustion: ReaxFF Molecular Dynamics Based on a Multicomponent Fuel Model
2019Co-Authors: Zhuojun Chen, Weizhen Sun, Ling ZhaoAbstract:This work attempts to investigate the Incomplete Combustion of a multicomponent fuel model using ReaxFF-MD simulations. The main products of Incomplete Combustion simulation included H2, CO, H2O, and CO2. Temperatures produced different effects on different products. At lower temperatures, a larger increasing rate of the number of products was found at a later stage, whereas the increasing rate of the number of products would be diminished over time at higher temperatures. The pressure-dependent simulations indicated that the high pressure could promote the Combustion process, especially the production of H2. The analysis of mechanisms and pathways of the Combustion process indicated that the C–C bond dissociation dominated the early stage of the Combustion mechanism of paraffin, whereas isomerization, H-abstraction, and C–C bond formation were observed in other systems. Ethylene (C2H4) was the product of β-scission of paraffin and naphthene, whereas ethyne (C2H2) was the product of β-scission of aromatic structures. A huge fluctuation range was observed in the variation trends of •OH and ••CH2, which revealed the high reactivity of these two radicals. Besides, collision was the main reason for the initial formation of coke instead of thermal deposition in the gas phase under extremely high temperatures. This work further suggests that ReaxFF-MD is a promising approach for investigating the Combustion behavior of hydrocarbon models at high temperatures
Xiangpeng Gao - One of the best experts on this subject based on the ideXlab platform.
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particulate matter emission from bio oil Incomplete Combustion under conditions relevant to stationary applications
Fuel, 2016Co-Authors: Chao Feng, Xiangpeng GaoAbstract:A raw bio-oil from biomass fast pyrolysis and a filtrated bio-oil, which was prepared from the raw bio-oil via syringe filtration to remove fine char particles, were atomized via an air-assist nozzle set and then combusted in a laboratory-scale drop-tube furnace (DTF) at 1400 °C under Incomplete Combustion conditions. Both air and oxygen (O2) atmospheres were considered to produce PM with aerodynamic diameter of <10 μm (PM10). Regardless of experimental conditions, it was found that the particle size distributions (PSDs) of PM10 follow a bimodal distribution. Under such Incomplete Combustion conditions, the PM10 samples apparently contain substantial amounts of carbonaceous material. Whereas the PSDs of Na, K, Cl and S (in the form of View the MathML sourceSO42-) exhibit a unimodal distribution, those of Mg and Ca in PM10 are dependent on Combustion atmosphere, i.e. a unimodal distribution for air Combustion and a bimodal distribution for O2 Combustion. The results show that under Incomplete Combustion conditions, the fine char particles in the raw bio-oil play significant roles in the emission of PM10 as well as Mg and Ca in PM10. The removal of the fine char particles in the raw bio-oil leads to considerable reductions in the mass of PM with aerodynamic diameters of 0.1–10 μm as well as that of Mg and Ca in the PM with a size range of 0.372–10 μm from the filtrated bio-oil Combustion, compared to those from the raw bio-oil Combustion. Combustion atmospheres also have significant effects on the emission and chemical composition of PM10 due to Incomplete Combustion. Switching Combustion atmosphere from air to O2 increases the PM1 yield by ∼74.2% due to the increased yields of Na, K, Mg, Ca, View the MathML sourceSO42- and View the MathML sourcePO43- in PM1, but decreases the PM1–10 yield by ∼27.2%, apparently as a result of improved burnout and thereby decreased amounts of unburned carbonaceous material in PM1–10.
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Particulate matter emission from bio-oil Incomplete Combustion under conditions relevant to stationary applications
Fuel, 2016Co-Authors: Chao Feng, Xiangpeng GaoAbstract:A raw bio-oil from biomass fast pyrolysis and a filtrated bio-oil, which was prepared from the raw bio-oil via syringe filtration to remove fine char particles, were atomized via an air-assist nozzle set and then combusted in a laboratory-scale drop-tube furnace (DTF) at 1400 °C under Incomplete Combustion conditions. Both air and oxygen (O2) atmospheres were considered to produce PM with aerodynamic diameter of
Frederica P. Perera - One of the best experts on this subject based on the ideXlab platform.
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Prenatal Exposure to Polycyclic Aromatic Hydrocarbons, Benzo[a]pyrene–DNA Adducts, and Genomic DNA Methylation in Cord Blood
Environmental health perspectives, 2012Co-Authors: Julie B. Herbstman, Deliang Tang, Deguang Zhu, Andreas Sjödin, David Camann, Frederica P. PereraAbstract:Background: Polycyclic aromatic hydrocarbons (PAHs) are carcinogenic environmental pollutants generated during Incomplete Combustion. After exposure and during metabolism, PAHs can form reactive ep...
