此研究的目的在於提出一組三維流體力學的模型用於模擬柴油引擎，並研究其燃燒過程
中的反應路徑以及產物的分布情形，以觀察燃料在不同時間以及不同位置的反應，搭配各
化合物在引擎中隨時間變化的濃度，來釐清燃料在引擎中燃燒的狀況。此研究使用了八分
之一扇形的柴油引擎模型，搭配庚烷-氮氧化物的化學反應機理來執行引擎燃燒的模擬。此
化學反應機理耦合了庚烷以及氮氧化物的子模型，合成後的反應機理包含34 個化合物以及
64 個反應方程式。我們在模擬的過程中收集各化合物在引擎內的平均濃度隨時間的變化，
畫出化合物在引擎中的濃度分布圖和反應路徑來做進一步的探討，
由平均濃度結果可知燃料在進入燃燒室的瞬間就開始反應直到燃燒結束，在這過程中藉
由濃度分布圖得知燃燒室中燃料生成不同化合物的位置以及擴散的過程，再搭配反應路徑
了解化合物反應的過程。
最後還有燃燒後的排氣結果比較。如此一來我們可以全面的觀察燃料在引擎中是如何的
燃燒和擴散。

This study proposes 3D computational fluid dynamics (CFD) model that analyzes the
relationship between rate of production, contour and mass-average concentration history in diesel
engine combustion. A 45-degree sector engine model and n-heptane-NOx mechanism are used to
predict the diesel engine combustion. The n-heptane-NOx mechanism that combines a n-heptane
mechanism and NOx submodel has 34 species and 64 reactions. The results are analyzed in three
different injection moments: 30%, 60% and 90% of the total fuel mass injected respectively. The
contours and rate of production (ROP) are analyzed with the corresponding mass-average
concentration history.
Fuel decomposition is observed after the fuel is injected into the combustion chamber in terms
of mass-average concentration histories. Fuel propagation and generation of small hydrocarbon
products are clearly seen in contour analyses. Besides, the reaction pathways explain the
formation of chemical species. The results comprehensively describe the combustion details of in
diesel engine.

論文審訂書 i
論文公開授權書 ii
誌謝 iii
中文摘要 iv
Abstract v
Table of Contents vi
List of Figures ix
List of Tables xiii
Nomenclature xiv
1. Introduction 1
1.1. Research purposes 3
2. Methodology 3
2.1. Diesel surrogate mechanism 4
2.1.1. Fuel mechanism arranging 4
2.1.2. 0D closed homogeneous reactor 4
2.2. 3-D engine model 5
2.2.1. Physical model 6
2.2.2. Mesh generation 8
2.2.3. Dynamic mesh 8
2.2.4. Grid independent test 9
2.2.5. Governing equations 10
2.2.6. Boundary and initial conditions 17
2.2.7. Fuel injection 18
2.2.8. Numerical method 19
3. Results and discussion 21
3.1. Validation 21
3.1.1. Kinetic mechanism 21
3.1.2. Internal combustion engine 22
3.2. Mass-average concentration history of in-cylinder combustion 24
3.3. Contours analysis 29
3.3.1. Contours at 30% of the total fuel mass injected 29
3.3.2. Contours at 60% of the total fuel mass injected 36
3.3.3. Contours at 90% of the total fuel mass injected. 42
3.4. Rate of production analysis 48
3.4.1. Rate of production at 30% of the total fuel mass injected 49
3.4.2. Rate of production at 60% of the total fuel mass injected 51
3.4.3. Rate of production at 90% of the total fuel mass injected 52
3.4.4. Rate of production of NOx 53
3.4.5. Evaporation time 53
3.5. Exhaust result 55
4. Conclusions 56
Acknowledgments 57
Appendix A. Detail mechanism 57
Appendix B. Thermal data 59
Appendix C. Transport data 63
References 64

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