Rapid consumption of energy storage and serious environmental pollution demand more advanced combustion strategies and more renewable fuels. Development of chemical kinetic models and suitable selection of fuels are key factors in evolving and optimizing new engine and combustion concepts. Alkenes are typical composition of gasoline as well as typical intermediates in the oxidation of larger alkanes and alcohol, while isoprene is one of the important alkenes impacting both the atmospheric pollution and energy depletion.
Isoprene is one of the most important species in the atmosphere chemistry, dominating the carbon flux emitted by vegetation and accounting for forty percent of non-methane biogenic emissions globally. Isoprene has been recognized not only as a noteworthy precursor to polycyclic aromatic hydrocarbons but also as a promising fuel additive. Isoprene has been extensively investigated in the atmosphere chemistry, but its role as a critical diolefin in combustion chemistry has received less attention. Only A few researchers studied isoprene chemistry by carrying out pyrolysis experiments and theoretical calculations.
To better understand the combustion chemistry of isoprene, this work presents a detailed experimental and kinetic modeling investigation. This study explored the chemical kinetics of isoprene oxidation in ignition delay times and speciation measurements. Our shock tube experiments for ignition delay times covered the temperatures of 680 – 1470 K, pressures of 1 – 30 bar, and equivalence ratios of 0.5 – 2. We measured laser-based time-resolved CO speciation in a low-pressure shock tube at temperatures of 900 – 1470 K, pressures of 1 and 4 bar, and equivalence ratios of 0.5 and 1. Major species concentrations were measured in a jet-stirred reactor at 680 – 1280 K, 1 bar, and φ = 0.5 – 2. Afterwards, we used 1,3-butadiene as a basis to develop fuel-specific isoprene sub-mechanism and coupled it with a C0-C5 core sub-mechanism. Finally we developed a comprehensive kinetic model including 1585 species and 6884 reactions and achieved a good agreement between the model’s predictions and the experiments. To our knowledge, this study is the first comprehensive effort to describe the process and provides valuable insights into isoprene oxidation. The work reported in the thesis also facilitates the better understanding of combustion chemistry of diolefins.
| Identifer | oai:union.ndltd.org:kaust.edu.sa/oai:repository.kaust.edu.sa:10754/691960 |
| Date | 11 May 2023 |
| Creators | Zhou, Chengyu |
| Contributors | Farooq, Aamir, Physical Science and Engineering (PSE) Division, Sarathy, Mani, Ruiz-Martinez, Javier |
| Source Sets | King Abdullah University of Science and Technology |
| Language | English |
| Detected Language | English |
| Type | Thesis |
| Rights | 2024-05-23, At the time of archiving, the student author of this thesis opted to temporarily restrict access to it. The full text of this thesis will become available to the public after the expiration of the embargo on 2024-05-23. |
| Relation | N/A |
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