The role of individual molecular reaction rates in complex combustion
processes in engines has been assessed in computer simulations of the
combustion of a model biodiesel fuel. This study is part of a larger
investigation of how quantum chemistry – that is, the forces acting
between electrons, atoms, and molecules that determine rates and energy
in individual chemical reactions – affects the predictions of high
fidelity combustion simulations, wherein thousands of reactions and
fluid mechanics interact in actual engines. Read more.
Read related article from Argonne’s TransForum transportation news magazine.