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A novel concept of combined hydrogen production and power generation system based on the combustion of aluminum in water is explored. The energy conversion system proposed is potentially able to provide four different energy sources, such us pressurized hydrogen, high temperature steam, heat, and work at the crankshaft on demand, as well as to fully comply with the environment sustainability requirements. Once aluminum oxide layer is removed, the pure aluminum can react with water producing alumina and hydrogen while releasing a significant amount of energy. Thus, the hydrogen can be stored for further use and the steam can be employed for energy generation or work production in a supplementary power system. The process is proved to be self-sustained and to provide a remarkable amount of energy available as work or hydrogen.

A semi-detailed chemical mechanism for combustion of gasoline-ethanol blends, which is based on sub-mechanisms of gasoline surrogate and for ethanol is developed and validated aiming at CFD engine modeling. The gasoline surrogate is composed of iso-octane, toluene, and n-heptane in volumetric proportions of 55%:35%:10%, respectively. In this way, the hydrogen-carbon atomic ratio H/C, which is around 1.87 for real gasoline, is accurately reproduced as well as a mixture equivalence ratio that is important for Gasoline Direct Injection engine applications. The integrated mechanism for gasoline-ethanol blends includes 120 species participating in 677 reactions. The mechanism is tested against experimental data on ignition delay times and laminar flame speeds, obtained for various n-heptane/iso-octane/toluene/ethanol-air mixtures under various equivalence ratios, initial temperatures, and pressures. Chemical, thermodynamic and transport properties used in the calculations are discussed.

The new EDC model formulation based on the operator-splitting procedure applied to the mass conservation equations for species participating in reversible chemical reactions which can be interpreted as representing combustion in a partially stirred reactor (PaSR) volume is presented. The model has been implemented in the KIVA-3V code, and examples of the model application to spray and gas combustion are illustrated, first, by the results of the 3-D modeling of the Diesel DI Volvo D12C engine. The combustion mechanism of diesel oil surrogate included of 68 species (including soot aromatic precursors) participating in 280 reversible reactions. Mean features of diesel spray engine combustion under conditions of delayed injection when auto-ignition has much in common with HCCI process are predicted in accordance with experimental data.

When using dimethyl ether (DME) to fuel diesel engines at high load and speed, applying high amounts of exhaust gas recirculation (EGR) to limit NOX emissions, carbon monoxide (CO) emissions are generally high. To address this issue, the combustion and emission processes in such engines were analyzed with the three-dimensional CFD KIVA3V code. The combustion sub-mechanism (76 species and 375 reactions) was validated by comparing simulated ignition delays and flame velocities to reference data under diesel-like and atmospheric conditions, respectively. In addition, simulated and experimentally determined rate of heat release (RoHR) curves and emission data were compared for a heavy-duty single-cylinder DME engine (displaced volume, 2.02 liters) with DME-adapted piston and nozzle geometries. The simulated RoHR curves captured the main features of the experimentally measured curves, but deviated in the premixed (higher peak) and late combustion phases (too high).

A detailed reaction mechanism for the combustion of biodiesel fuels has recently been developed by Westbrook and co-workers. This detailed mechanism involves 5037 species and 19990 reactions, which prohibits its direct use in computational fluid dynamic (CFD) applications. In the present work, various mechanism reduction methods included in the Reaction Workbench software were used to derive a semi-detailed biodiesel combustion mechanism, while maintaining the accuracy of the master mechanism for a desired set of engine conditions. The reduced combustion mechanism for a five-component biodiesel fuel was employed in the FORTÉ CFD simulation package to take advantage of advanced chemistry solver methodologies and advanced spray models. Simulations were performed for a Volvo D12C heavy diesel engine fueled by RME fuel using a 72° sector mesh. Predictions were validated against measured in-cylinder parameters and exhaust emission concentrations.