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A model has been developed to predict quantitatively the results of the ASTM D86 fuel distillation procedure. The model uses material and energy balances to treat the procedure as a two stage unsteady-state distillation coupled with an air-filled continuous stirred-tank reactor (CSTR). Heat is removed from the second stage to simulate convection losses from the experimental apparatus. The model requires as inputs the fuel composition and the physical properties of all components (vapor phase heat capacity, vapor pressure, critical properties, density, molecular weight, solubility parameter). Correlations were used to approximate other needed properties. Liquid-phase activity coefficients were calculated with the UNIFAC model. Heat losses were modeled with a correlation from the literature. The model was validated by comparing predictions to experimental measurements on a seven-component model fuel. Agreement was extremely good across the entire range of volume fractions distilled.

A simple set of equations has been developed to characterize automotive fuel behavior in fuel tanks, fuel vapor systems and fuel rails, particularly under hot weather conditions. The system of equations links the vapor pressure P, the temperature T, and the mass fraction evaporated Z. Parameters are determined empirically from laboratory vapor pressure and distillation tests. With appropriate values for heat capacity, heat of vaporization, and vapor composition, the equations can be used to estimate upper flammability limits, fuel weathering under hot fuel handling conditions, pressure rise in tanks, and evaporative vapor generation. The equations were developed as part of a larger fuel vapor system model.