As a summary of work in the project "Influence of bioethanol fuels treatment for operational performance, ecological properties and GHG emissions of spark ignition engines (Biotreth)'; evolving around the effects from bioethanol blending, this paper summarizes the findings from the 3-year long project. These are I) attributional life cycle assessment (LCA) of the environmental impact connected with the blended fuels, and 2) molecular dynamics simulations of exhaust from the blended fuels. Bioethanol has been increasingly applied as a renewable energy component in combination with gasoline for the reduction of emissions and to reduce the release of climate gases into the atmosphere. Here the environmental and health impacts resulting from introducing bioethanol blended into fossil fuels are assessed. This bio-blended fuel is an alternative to fossil fuels, and their multivariate results are presented with the potential environmental impacts of the production (well-to-tank) of certain multifunctional detergent additive packages (MDAPs) combined with different ethanol-gasoline blends. Moreover the effect of feedstock for ethanol in Switzerland and Poland on end-point modelling results is explored. The resulting combustion products, as a result of adding these new MDAP to the ethanol-gasoline blends, are measured and added to the well-to-wheel LCA focused on GWP100, Cumulative Energy Demand and Eco-indicator'99. MDAP production eco-environmental impacts are estimated based on their chemical structure. To assess the potentials for new types of emission compounds we have used molecular dynamics simulations. The combination of bioethanol and gasoline introduces two leading toxic components in the urban atmosphere as potentially toxic mixtures: acetaldehyde and poly aromatic hydrocarbons (PAHs) were established. The PAHs are found in combusted gasoline and are virtually absent in emissions of bioethanol. Bioethanol however, contributes with acetaldehyde, which is a potential carcinogen. In this study, we have studied the dynamics of particle formation between acetaldehyde and phenanthrene, which is a PAH found at high concentrations in generic fossil fuel emissions. Our analysis resolves the interaction of these two main emission toxic components at the molecular level in virtual chambers of 300 to 700K, under standard atmospheric conditions and under high pressure and temperature from the engine and exhaust pipe and also reveals their interaction with environmental humidity, modelled as single-point charged water molecules. The results show so far that PAHs and phenanthrene can combine in the water phase and form aqueous nanoparticles, which can be easily absorbed in the lungs through respiration. Water droplets in moisture become potential carriers of PAHs to the exposed subjects by forming non-covalent bonds with acetaldehyde, which in turn binds phenanthrene via its hydrophobic group.
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