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• W2016288475 abstract "This paper details the multiscale methodology developed to analyze the formation of nanoparticles in a manner that makes it possible to follow the evolution of the structures in a chemically specific way. The atomistic model for particle inception code that combines the strengths of kinetic Monte Carlo and molecular dynamics is used to study the chemical and physical properties of nanoparticles generated in a premixed fuel-rich benzene flame, providing atomistic scale structures (bonds, bond angles, dihedral angles) as soot precursors evolve into a three-dimensional structure. Morphology, density, porosity, and other physical properties are computed. Two heights corresponding to two different times in the benzene flame, experimentally studied by Bittner and Howard [Proc. Combust. Inst. 18, 1105 (1981)], were chosen to examine the influence of different environments on structural properties of the particles formed." @default.
• W2016288475 created "2016-06-24" @default.
• W2016288475 creator A5050885573 @default.
• W2016288475 creator A5051408642 @default.
• W2016288475 date "2006-08-01" @default.
• W2016288475 modified "2023-09-26" @default.
• W2016288475 title "Combustion-generated nanoparticles produced in a benzene flame: A multiscale approach" @default.
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• W2016288475 doi "https://doi.org/10.1063/1.2234481" @default.
• W2016288475 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/16942208" @default.
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