Dynamics of Peroxy and Alkenyl Radicals Undergoing Competing Rearrangements in Biodiesel Combustion [electronic resource]

• Ngôn ngữ: eng
• Ký hiệu phân loại: 621.48 Nuclear engineering
• Thông tin xuất bản: Washington, D.C. : Oak Ridge, Tenn. : United States. Dept. of Energy. Office of Science ; Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy, 2016
• Mô tả vật lý: Size: 7 p. : , digital, PDF file.
• Bộ sưu tập: Metadata
• ID: 263680
• Chủ đề: 1. 09 biomass fuels; 2. 37 inorganic, organic, physical, and analytical chemistry; 3. Biodiesel; 4. Fatty acid methyl esters; 5. Methylbutanoate

Tóm tắt

Biodiesel fuel is increasingly being used worldwide. Although we have a fair understanding of the molecular details of the chemistry of peroxy radicals derived from alkanes, biodiesel fuels contain ester and olefin groups which significantly impact the thermodynamics and kinetics of biodiesel ignition. The broader goal of this research is to carry out systematic computational studies of the elementary kinetics of the chemistry of ROO?, QOOH and ?OOQOOH compounds that are models for biodiesel ignition.