Real distillate fuels usually contain thousands of hydrocarbon components. Over a wide
range of combustion conditions, large hydrocarbon molecules undergo thermal …

We propose and test an alternative approach to modeling high-temperature combustion
chemistry of multicomponent real fuels. The hybrid chem istry (HyChem) approach …

Abstract A Hybrid Chemistry (HyChem) approach has been recently developed for the
modeling of real fuels; it incorporates a basic understanding about the combustion chemistry …

Combustion devices such as rocket engines, gas turbines and HCCI engines frequently
operate at a pressure higher than the critical pressure of the fuel or the oxidizer. This …

Abstract The Hybrid Chemistry (HyChem) approach has been proposed previously for
combustion chemistry modeling of real, liquid fuels of a distillate origin. In this work, the …

Reactive molecular dynamics (MD) simulation is a powerful tool to study the reaction
mechanism of complex chemical systems. Central to the method is the potential energy …

Atomistic simulations can in principle provide an unbiased description of all mechanisms,
intermediates, and products of complex chemical processes. However, due to the severe …

We examine the state-of-the-art neural network (NN) approach and its flexible
implementations in combustion reaction model uncertainty quantification (UQ), optimization …

Ignition delay times were measured behind reflected shock waves in a shock tube for a wide
variety of distillate fuels over a range of temperatures, pressures and mixtures. The fuels …

Wide distillation fuels (WDF) and gasoline/diesel blends have been proposed as new fuel
formulations for advanced combustion engines. Recent studies have shown that multi …