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The paper presents the development of a novel approach to the solution of detailed chemistry in internal combustion engine simulations, which relies on the analytical computation of the ordinary differential equations (ODE) system Jacobian matrix in sparse form. Arbitrary reaction behaviors in either Arrhenius, third-body or fall-off formulations can be considered, and thermodynamic gas-phase mixture properties are evaluated according to the well-established 7-coefficient JANAF polynomial form. The current work presents a full validation of the new chemistry solver when coupled to the KIVA-4 code, through modeling of a single cylinder Caterpillar 3401 heavy-duty engine, running in two-stage combustion mode.

Many recent studies have shown that the Reactivity Controlled Compression Ignition (RCCI) combustion strategy can achieve high efficiency with low emissions. However, it has also been revealed that RCCI combustion is difficult at high loads due to its premixed nature. To operate at moderate to high loads with gasoline/diesel dual fuel, high amounts of EGR or an ultra low compression ratio have shown to be required. Considering that both of these approaches inherently lower thermodynamic efficiency, in this study natural gas was utilized as a replacement for gasoline as the low-reactivity fuel. Due to the lower reactivity (i.e., higher octane number) of natural gas compared to gasoline, it was hypothesized to be a better fuel for RCCI combustion, in which a large reactivity gradient between the two fuels is beneficial in controlling the maximum pressure rise rate.

A study of the combined use of split injections, EGR, and flexible boosting was conducted. Statistical optimization of the engine operating parameters was accomplished using a new response surface method. The objective of the study was to demonstrate the emissions and fuel consumption capabilities of a state-of-the-art heavy -duty diesel engine when using split injections, EGR, and flexible boosting over a wide range of engine operating conditions. Previous studies have indicated that multiple injections with EGR can provide substantial simultaneous reductions in emissions of particulate and NOx from heavy-duty diesel engines, but careful optimization of the operating parameters is necessary in order to receive the full benefit of these combustion control techniques. Similarly, boost has been shown to be an important parameter to optimize. During the experiments, an instrumented single-cylinder heavy -duty diesel engine was used.

A study of statistical optimization of engine operating parameters was conducted. The objective of the study was to develop a strategy to efficiently optimize operating parameters of diesel engines with multiple injection and EGR capabilities. Previous studies have indicated that multiple injections with EGR can provide substantial simultaneous reductions in emissions of particulate and NOx from heavy-duty diesel engines, but careful optimization of the operating parameters is necessary in order to receive the full benefit of these combustion control techniques. The goal of the present study was to optimize the control parameters to reduce emissions and brake specific fuel consumption. An instrumented single-cylinder heavy-duty diesel engine was used with a prototype mechanically actuated (cam driven) fuel injection system.