Kinetics of autoignition: a simple intuitive interpretation and its relation to the Livengood–Wu integral

Literature Information

Publication Date 2018-01-17
DOI 10.1039/C7CP07736J
Impact Factor 3.676
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Abstract

It is well known that the gas-phase autoignition phenomenon often involves branched chain reactions as well as the acceleration of reactions by thermal feedback. Despite the huge combustion kinetic mechanisms of large hydrocarbons found in practical fuels, chain reactions in the early stages of alkane autoignition exhibit simple kinetics since the pseudo-first-order assumption and the linear approximation are valid. In this study, this simple picture of autoignition will be presented starting from the H2–O2 system and then extending to practical fuel–air mixtures. The present interpretation gives the theoretical rationale for the Livengood–Wu integral which is known as an empirical method to predict the timing of knock in spark-ignition engines.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
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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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