High Temperature Chemistry of Aromatic Hydrocarbons. Final Technical Report

Technical Report · Mon May 15 00:00:00 EDT 2017

DOI:https://doi.org/10.2172/1356819· OSTI ID:1356819

Scott, Lawrence T. ^[1]

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1. Boston College, Chestnut Hill, MA (United States). Merkert Chemistry Center, Dept. of Chemistry

The primary goal of this research was to uncover the principal reaction channels available to polycyclic aromatic hydrocarbons (PAHs) at high temperatures in the gas phase and to establish the factors that determine which channels will be followed in varying circumstances. New structure-property relationships for PAHs were also studied. The efficient production of clean energy from fossil fuels will remain a major component of the DOE mission until alternative sources of energy eventually displace coal and petroleum. Hydrocarbons constitute the most basic class of compounds in all of organic chemistry, and as the dominant species in fossil fuels, they figure prominently into the programs of the DOE. Much is already known about the normal chemistry of hydrocarbons under ambient conditions, but far less is known about their intrinsic chemistry at temperatures close to those reached during combustion. An understanding of the fundamental molecular transformations, rearrangements, and interconversions of PAHs at high temperatures in the gas phase, as revealed by careful studies on small, well-designed, molecular systems, provides insights into the underlying chemistry of many important processes that are more complex, such as the generation of energy by the combustion of fossil fuels, the uncatalyzed gasification and liquefaction of coal, the production of fullerenes in fuel-rich flames, and the formation of soot and carcinogenic pollutants in smoke (e.g., benzo[a]pyrene). The rational control of any of these processes, whether it be the optimization of a desirable process or the minimization of an undesirable one, requires a clear knowledge of the basic chemistry that governs the fate of the species involved. Advances in chemistry at the most fundamental level come about primarily from the discovery of new reactions and from new insights into how reactions occur. Harnessing that knowledge is the key to new technologies. The recent commercialization of a combustion synthesis of C₆₀ and other fullerenes depended critically on a knowledge of hydrocarbon reactions at high temperatures in the gas phase, and the research supported by this project enabled further advances in the realm of carbon-rich materials.

• Research Organization: Boston College, Chestnut Hill, MA (United States)
• Sponsoring Organization: USDOE Office of Science (SC)
• DOE Contract Number: FG02-93ER14359
• OSTI ID: 1356819
• Report Number(s): 1
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY