On the kinetics of hydrocarbons oxidation from natural gas to kerosene and diesel fuel
Literature Information
Kinetic reaction mechanisms are necessary for modeling the combustion, oxidation and ignition of commercial fuels consisting of complex mixtures of hydrocarbons. Since they are generally too complex to be considered in the models directly, simple model-fuels are preferred. These model-fuels consist in a simple mixture of hydrocarbons for which kinetic oxidation models are validated. The oxidation of a large variety of hydrocarbons was studied experimentally in a jet-stirred reactor to build the needed kinetic reaction mechanisms. These detailed kinetic reaction mechanisms were assembled to model the oxidation of commercial fuels. The capabilities of these kinetic models to simulate the oxidation of natural gas, kerosene and gas oil are presented together with needs for new kinetic measurements.
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Source Journal
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.












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