@phdthesis{Wang2017, author = {Wang, Xiaoxiao}, title = {Kinetic mechanism of surrogates for biodiesel}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:co1-opus4-46687}, school = {BTU Cottbus - Senftenberg}, year = {2017}, abstract = {In recent years, biodiesel is an alternative fuel to petroleum diesel that is renewable and creates less harmful emissions than conventional diesel. Biodiesel blends - usually B20 or below, have been the most commonly used biodiesel blends. In current study, the kinetic mechanism of n-decane/α-methylnaphthalene (AMN)/methyl-decanoate (MD) blend is developed and validated as the surrogate for biodiesel/diesel blends. The IDEA reference fuel (70\% n-decane/30\% AMN by liquid volume) was formulated in the past as a two-component diesel surrogate fuel. A comprehensive and compact oxidation model for the IDEA reference fuel is developed. One important fuel-fuel interaction pathway via reaction pathway of A2CH2 + HO2 is observed and detailed discussed. The IDEA blends are validated by comprehensive target experiments for n-decane, AMN, and the AMN/n-decane blends. Ignition delay times, flame speeds, and species composition in jet stirred reactor and counter flow flames are successfully simulated for a broad range of temperatures (500-2000 K) and pressures (1-50 bar). The simulations of the IDEA blend with current mod-el show acceptable agreement when compared with different experiments of ignition delay times for diesel fuels as well as flame speed experiments. With a chain of ten carbon atoms and a methyl-ester group attached, MD is considered as a one-component surrogate fuel for biodiesel. A comprehensive and compact kinetic model for MD is developed. The mechanism is critically tested by comparison of model predictions with experimental data over a wide temperature (500 to 1500 K) and pressure (1 to 20 bar) range and for different fuel/oxidizer ratios. The good maintenance of chemical information during the reduction has been confirmed by simulation results, as well as the sensitivity and flow analyses performed using the detailed and the skeletal model. The MD model is compared with available experimental ignition delay times of biodiesel fuels. The good agreement between the simulations and the experiments proves that this model is a reliable kinetic model for simulations, either used by itself or in combination with IDEA blend. To improve the mechanism analysis, this thesis introduces a new three-stage reactive flow analysis. The final skeletal n-decane/AMN/MD blend with skeletal base mechanism includes 295 species and 3500 reactions by using the CGR approach. Based on the above validations and comparisons, current blend is considered as one surrogate for biodiesel/diesel blends that is suitable for improving kinetic understanding and for application in engine simulations.}, subject = {α-Methylnaphthalene; n-Decane; Methyl-Decanoate; Biodiesel-Dieselsurrogat; Biodiesel surrogate modeling; Kinetic modeling; α-Methylnaphthalin; n-Decan; Methyldecanoat; Kinetische Modellierung; Biodiesel; Kraftstoffherstellung}, language = {en} }