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Biodiesel fuels and their blends with diesel are often used to reduce emissions from diesel engines. However, biodiesel has been shown to increase the NOx emissions. Operating a compression ignition engine in low-temperature combustion mode as well as using multiple injections can reduce NOx emissions. Experimental data for biodiesel are compared to those for diesel to show the effect of the biodiesel on the peak pressure, temperature, and emissions. Accurate prediction of biodiesel properties, combined with the KIVA 3V code, is used to investigate the combustion of biodiesel. The volume fraction of the cylinder that has temperatures greater than 2200 K is shown to directly affect the production of oxides of nitrogen. Biodiesel is shown to burn faster during the combustion events, though the ignition delay is often longer for biodiesel compared to diesel.

A numerical study of micro-explosion in multi-component droplets is presented. The homogeneous nucleation theory is used in describing the bubble generation process. A modified Rayleigh equation is then used to calculate the bubble growth rate. The breakup criterion is then determined by applying a linear stability analysis on the bubble-droplet system. After the explosion/breakup, the atomization characteristics, including Sauter mean radius and averaged velocity of the secondary droplets, are calculated from conservation equations. Micro-explosion can be enhanced by introducing biodiesel into the fuel blends of ethanol and tetradecane. Micro-explosion is more likely to occur at high ambient pressure. However, increasing the ambient temperature does not have a significant effect on micro-explosion. There exists an optimal composition in the liquid mixture for micro-explosion.

The operation of a small bore high speed direct injection (HSDI) engine with a MVCO injector is simulated by the KIVA 3V code, developed by Los Alamos National Laboratory. The MVCO injector extends the range of injection timings over conventional injectors and it extra flexibility in designing injection schemes. Combustion from very early injection is observed with MVCO injections but not with conventional injection. This improves the fuel economy of the engine in terms of lower ISFC. Even better efficiency can be achieved by using biodiesel, which may be due to extra oxygen in the fuel improving the combustion process. Biodiesel sees a longer ignition delay for the initial injection. It also exhibits a faster burning rate and shorter combustion duration. Biodiesel also lowered both NOx and soot emissions. This is consistent with the general observation for soot emissions.

The KIVA-3V code, developed by Los Alamos National Laboratory, with modifications that improve its capability with biodiesel simulations was used to model the operation of an HSDI engine using blends of soybean biodiesel and diesel. Biodiesel and their blends with diesel are frequently used to reduce emissions from diesel engines, although previous studies showed that biodiesel may increase NOx emission. The paradox may be resolved by running the engine in low temperature combustion mode with biodiesel/diesel blends, as low temperature combustion simultaneously reduced NOx and soot. The modified KIVA code predicts the major combustion characteristics: peak combustion pressure, heat release rate and ignition timing accurately when compared with experimental measurements. It also correctly predicts the trend of NOx emissions. It was observed that the cylinder temperature distribution has a strong effect on emission levels.