| 项目编号: | 1706252
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| 项目名称: | Multi-Component Reactive Pressure-dependent Chemistry Verified by Multi-Scale Uncertainty Quantification |
| 作者: | Michael Burke
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| 承担单位: | Columbia University
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| 批准年: | 2017
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| 开始日期: | 2017-08-01
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| 结束日期: | 2020-07-31
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| 资助金额: | 289999
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| 资助来源: | US-NSF
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| 项目类别: | Standard Grant
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| 国家: | US
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| 语种: | 英语
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| 特色学科分类: | Engineering - Chemical, Bioengineering, Environmental, and Transport Systems
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| 英文关键词: | combustion chemistry
; first principle
; combustion experiment
; inverse uncertainty quantification
; uncertainty-quantified model
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| 英文摘要: | Emerging combustion engine technologies show promise for improved fuel economy and reduced environmental pollution. However, engineers face design challenges because these improved engines require unprecedentedly precise control of fuel combustion chemistry. Optimal design now requires scientific descriptions of combustion chemistry to be unprecedentedly precise. This is especially true for engineers using computer models. To serve these needs, the project goal is to create and validate predictive combustion chemistry models. This project will create descriptions of combustion chemistry at the molecular level and then validate these descriptions against combustion measurements. The fundamental chemical behavior characterized in this research will also lead to a greater understanding of planetary atmospheres. Finally, this project will bring research discoveries to students in the classroom, train graduate students in state-of-the-art computer modeling, and share the scientific thought process with local K-12 students in school visits and lab tours.
The technical objective of the proposed research is to create a multi-scale, uncertainty-quantified model of H2/CO/CH2O combustion that is consistent with both first principles and combustion experiments. A primary focus is establishing the types of phenomenological reactions and rate laws of highly reactive engine environments, especially for non-thermal kinetic sequences that have complex dependences on temperature, pressure, and mixture composition. The PI proposes to 1) perform state-of-the-art first principles calculations for important non-thermal kinetic sequences; 2) construct a multi-scale combustion model that directly bridges molecular behavior, calculable from first principles, to macroscopic behavior, measurable in combustion experiments; and 3) test model consistency with both first principles and combustion experiments to validate the model via inverse uncertainty quantification. By the project end, the established reaction types and rate laws will serve as prototypes for other reactions in combustion and atmospheres, and the produced high-accuracy model will be ready to use in other scientific and engineering applications. |
| 资源类型: | 项目
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| 标识符: | http://119.78.100.158/handle/2HF3EXSE/89625
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| Appears in Collections: | 全球变化的国际研究计划
科学计划与规划
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| Recommended Citation: | |
Michael Burke. Multi-Component Reactive Pressure-dependent Chemistry Verified by Multi-Scale Uncertainty Quantification. 2017-01-01.
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