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A zero-dimensional cycle simulation model coupled with a chemical equilibrium model and a two-zone combustion model has been extended to predict nitric oxide formation and emissions from spark-ignited, lean-burn natural gas engines. It is demonstrated that using the extended Zeldovich mechanism alone, the NOx emissions from an 8.1-liter, 6-cylinder, natural gas engine were significantly under predicted. However, by combining the predicted NOx formation from both the extended Zeldovich thermal NO and the Fenimore prompt NO mechanisms, the NOx emissions were predicted with fair accuracy over a range of engine powers and lean-burn equivalence ratios. The effect of injection timing on NOx emissions was under predicted. Humidity effects on NOx formation were slightly under predicted in another engine, a 6.8-liter, 6-cylinder, natural gas engine. Engine power was well predicted in both engines, which is a prerequisite to accurate NOx predictions.

A menu-driven, PC-based model, ALAMO_ENGINE, has been developed to predict the nitrogen oxides (NOx) reductions in direct-injected, diesel engines due to exhaust gas recirculation (EGR), emulsified fuels, manifold or in-cylinder water injection, fuel injection timing changes, humidity effects, and intake air temperature changes. The approach was to use a diesel engine cycle simulation with detailed gas composition calculations for the intake and exhaust gases (including EGR, water concentration, fuel-type effects, etc.), coupled with a code to calculate stoichiometric, adiabatic flame temperatures and expressions that correlate measured NOx emissions with the flame temperature. Execution times are less than 10 seconds on a 486-66 MHz PC.

“Gas-to-liquids” catalytic conversion technologies show promise for liberating stranded natural gas reserves and for achieving energy diversity worldwide. Some gas-to-liquids products are used as transportation fuels and as blendstocks for upgrading crude-derived fuels. Methylal (CH3-O-CH2-O-CH3), also known as dimethoxymethane or DMM, is a gas-to-liquid chemical that has been evaluated for use as a diesel fuel component. Methylal contains 42% oxygen by weight and is soluble in diesel fuel. The physical and chemical properties of neat methylal and for blends of methylal in conventional diesel fuel are presented. Methylal was found to be more volatile than diesel fuel, and special precautions for distribution and fuel tank storage are discussed. Steady state engine tests were also performed using an unmodified Cummins B5.9 turbocharged diesel engine to examine the effect of methylal blend concentration on performance and emissions.