Executive Summary : | The increasing oil consumption and higher emissions of CO₂ and PM are limiting the sources and abundances of conventional hydrocarbon fuels. To address these issues, the production of alternative fuels and additives from renewable energy sources is necessary. Oxygenated biofuels, such as ethanol and fatty acid methyl esters, have gained attention due to their significant reduction in greenhouse gas emissions and soot formation. These biofuels also reduce dependence on fossil fuel resources. Oxygenated biofuels, including alcohols, ethers, and esters, are considered promising alternative fuels. Dimethoxymethane (DMM), dimethyl carbonate (DMC), and furans are considered the most promising fuel additives due to their insolubility in water, high energy density, and low latent heat of vaporization. DMC is considered a prominent alternative fuel due to its high oxygen content, which could inhibit soot formation. DMM, DMC, and furans are considered effective alternative fuels that could improve combustion performance and reduce soot formation. This project will conduct gas phase decomposition of DMM, DMC, and furans using direct chemical dynamics simulations. Potential energy surface (PES) calculations will be performed using electronic structure theory at different levels of theories. Further benchmark calculations of critical points may be required for accurate reaction energetics. Systematic and extensive investigations on the decomposition of DMM, DMC, and furans will help address key scientific gaps and provide a clearer picture of alternative fuels. |