Related references
Note: Only part of the references are listed.Numerical simulations of yield-based sooting tendencies of aromatic fuels using ReaxFF molecular dynamics
Hyunguk Kwon et al.
FUEL (2020)
Effects of CO2 on soot formation in ethylene pyrolysis
Junyu Mei et al.
COMBUSTION AND FLAME (2020)
Reactive Molecular Dynamics Simulations and Quantum Chemistry Calculations To Investigate Soot-Relevant Reaction Pathways for Hexylamine Isomers
Hyunguk Kwon et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2020)
On the low-temperature limit of HACA
Michael Frenklach et al.
PROCEEDINGS OF THE COMBUSTION INSTITUTE (2019)
Study on soot nucleation and growth from PAHs and some reactive species at flame temperatures by ReaxFF molecular dynamics
Hongliang Yuan et al.
CHEMICAL ENGINEERING SCIENCE (2019)
Relationship between Energetic Performance and Clustering Effects on Incremental Nitramine Groups: A Theoretical Perspective
Huajie Xu et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2019)
Initial reactivity differences between a 3-component surrogate model and a 24-component model for RP-1 fuel pyrolysis evaluated by ReaxFF MD
Song Han et al.
FUEL (2018)
Atomic Force Microscopy Identifying Fuel Pyrolysis Products and Directing the Synthesis of Analytical Standards
Shadi Fatayer et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2018)
Resonance-stabilized hydrocarbon-radical chain reactions may explain soot inception and growth
K. O. Johansson et al.
SCIENCE (2018)
Higher Activity Leading to Higher Disorder: A Case of Four Light Hydrocarbons to Variable Morphological Carbonaceous Materials by Pyrolysis
Jian Liu et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2018)
Revealing the Initial Chemistry of Soot Nanoparticle Formation by ReaxFF Molecular Dynamics Simulations
Song Han et al.
ENERGY & FUELS (2017)
ReaxFF based molecular dynamics simulations of ignition front propagation in hydrocarbon/oxygen mixtures under high temperature and pressure conditions
Chowdhury Ashraf et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2017)
Formation of incipient soot particles from polycyclic aromatic hydrocarbons: A ReaxFF molecular dynamics study
Qian Mao et al.
CARBON (2017)
High-Temperature and High-Pressure Pyrolysis of Hexadecane: Molecular Dynamic Simulation Based on Reactive Force Field (ReaxFF)
Zhuojun Chen et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2017)
Energy absorption and reaction mechanism for thermal pyrolysis of n-decane under supercritical pressure
H. Zhou et al.
APPLIED THERMAL ENGINEERING (2017)
Reaction pathway for nascent soot in ethylene pyrolysis
Yoshiya Matsukawa et al.
COMBUSTION AND FLAME (2016)
Role of Carbon-Addition and Hydrogen-Migration Reactions in Soot Surface Growth
Hong-Bo Zhang et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2016)
Evaluation of heat sink capability and deposition propensity of supercritical endothermic fuels in a minichannel
Zhaohui Liu et al.
FUEL (2015)
The Effects of Temperature on the Yields of the Major Aliphatic and Aromatic Products of Supercritical n-Decane Pyrolysis
Subramanian V. Kalpathy et al.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2015)
Analyses of surrogate models for calculating thermophysical properties of aviation kerosene RP-3 at supercritical pressures
Xu KeKe et al.
SCIENCE CHINA-TECHNOLOGICAL SCIENCES (2015)
Inhibition Effect of APCVD Titanium Nitride Coating on Coke Growth during n-Hexane Thermal Cracking under Supercritical Conditions
Shiyun Tang et al.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2014)
Dimerization of Polycyclic Aromatic Hydrocarbons in Soot Nucleation
Hong-Bo Zhang et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2014)
Comparison of thermal and catalytic cracking of 1-heptene from ReaxFF reactive molecular dynamics simulations
Fidel Castro-Marcano et al.
COMBUSTION AND FLAME (2013)
Pyrolytic depositions of hydrocarbon aviation fuels in regenerative cooling channels
Guozhu Liu et al.
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS (2013)
A Reactive Molecular Dynamics Study of n-Heptane Pyrolysis at High Temperature
Junxia Ding et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2013)
Thermodynamics of poly-aromatic hydrocarbon clustering and the effects of substituted aliphatic chains
Paolo Elvati et al.
PROCEEDINGS OF THE COMBUSTION INSTITUTE (2013)
Computational investigations on covalent dimerization/oligomerization of polyacenes: Is it relevant to soot formation?
D. Koley et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)
Effects of Fuel Additives on the Thermal Cracking of n-Decane from Reactive Molecular Dynamics
Quan-De Wang et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2012)
ReaxFF Molecular Dynamics Simulations of Oxidation of Toluene at High Temperatures
Xue-Min Cheng et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2012)
Peri-condensed aromatics with aliphatic chains as key intermediates for the nucleation of aromatic hydrocarbons
Seung-Hyun Chung et al.
PROCEEDINGS OF THE COMBUSTION INSTITUTE (2011)
Developing the PAH-PP soot particle model using process informatics and uncertainty propagation
Markus Sander et al.
PROCEEDINGS OF THE COMBUSTION INSTITUTE (2011)
Formation of nascent soot and other condensed-phase materials in flames
Hai Wang
PROCEEDINGS OF THE COMBUSTION INSTITUTE (2011)
ReaxFF-molecular dynamics simulations of non-oxidative and non-catalyzed thermal decomposition of methane at high temperatures
Norbert Lummen
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)
A highly efficient growth mechanism of polycyclic aromatic hydrocarbons
Bikau Shukla et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)
Soot Growth Mechanisms from Polyynes
Antonius Indarto
ENVIRONMENTAL ENGINEERING SCIENCE (2009)
Molecular Dynamics Simulation of the Low-Temperature Partial Oxidation of CH4
Alister J. Page et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
A surrogate fuel for kerosene
S. Honnet et al.
PROCEEDINGS OF THE COMBUSTION INSTITUTE (2009)
The combustion of kerosene: Experimental results and kinetic modelling using 1-to 3-component surrogate model fuels
P Dagaut et al.
FUEL (2006)
Computational and experimental study of JP-8, a surrogate, and its components in counterflow diffusion flames
JA Cooke et al.
PROCEEDINGS OF THE COMBUSTION INSTITUTE (2005)
Reference components of jet fuels: kinetic modeling and experimental results
A Agosta et al.
EXPERIMENTAL THERMAL AND FLUID SCIENCE (2004)
Reaction mechanism of soot formation in flames
M Frenklach
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2002)
Kinetic modelling of n-decane combustion and autoignition
G Bikas et al.
COMBUSTION AND FLAME (2001)
Detailed modeling of soot formation in hydrocarbon pyrolysis
AV Krestinin
COMBUSTION AND FLAME (2000)
Kinetic modeling of soot formation with detailed chemistry and physics:: Laminar premixed flames of C2 hydrocarbons
J Appel et al.
COMBUSTION AND FLAME (2000)