本論文進行直接噴射注油引擎燃燒室中之噴霧燃燒現象與污染排放數值模擬研究。所採用之數值程式為KIVA-3V，並且進行多項之物理機構模式之改進，包括：能較準確預測低溫化學反應機制之Shell點火模式、探討燃油噴霧化及空氣動力破裂機制之修正參數後之TAB 模式與本研究中提出之TAB-C噴霧霧化物理模式；並且透過相關實際噴霧室與引擎之實驗數據驗證，以探討其應用於實際噴射注油引擎噴霧燃燒預測之可行性。預測之點火延遲、熱釋放率、壓力變化及噴霧穿透長度等，皆與實驗結果相當吻合。
　　於針對不同型式柴油引擎進行噴霧模式及其預測之噴霧型態對燃燒過程之影響研究可發現，對原始TAB液滴霧化模式進行參數調整（ ）以改變油滴破裂時間，可改進原有TAB模式對噴霧型態之預測準確度。參數 之增加會造成油滴破裂時間縮短，進而使其燃油噴霧型態受到引擎缸內強烈流場影響，造成壁濕、噴霧穿透長度不足等現象，而影響油氣混合與充氣利用，導致燃燒效能不佳。經由與實驗之缸內壓力、熱釋放率、噴霧穿透長度驗證後，本研究最後對於不同引擎提出個別之最佳噴霧模式參數值。
　　所提出之TAB-C液滴霧化模式進一步考量不同霧化機制下之液滴破裂時間，並於噴霧室與實際柴油引擎操作條件下，連同原始之TAB模式及採行 參數修正之TAB模式進行驗證。計算結果顯示出本研究所提出之TAB-C液滴霧化模式較原始、以及修正 參數之TAB模式對於噴霧穿透長度、液滴粒徑、與柴油引擎燃燒過程展現出更優越之模擬能力。此TAB-C 霧化模式亦針對一適用於直接噴射注油火花點火汽油引擎之壓力渦漩式噴嘴產生之空心錐狀噴霧進行模擬驗證，經與實驗量測之噴霧穿透長度、液滴粒徑比較後，更進一步證明此模式對於廣泛之噴霧種類應用具有優良之預測能力。
　　於不同之空氣燃油比條件下，包含於進氣行程與壓縮行程注油兩種注油策略之直接噴射注油火花點火汽油引擎之燃燒過程已成功地予以模擬。藉由評估不同注油正時（SOI）對點火前之汽缸內氣相/燃油噴霧交互作用顯示出，直接燃油噴注有助於提升汽缸內流場特性，其對於油氣混合效率與成功燃燒與否有相當大之影響。此外，由檢視燃燒過程中之不同階段：延遲期與壓力迅速上升期行為，與峰值壓力出現時機與大小，本研究針對所概念性探討之直接噴射注油火花點火汽油引擎提出：SOI=150° ATDC之進氣行程注油，適用於富油、正規及貧油之燃燒；SOI=300° ATDC之壓縮行程注油，適用於空油比大於20之極貧油燃燒。而所預測之空油比及注油正時對氮氧化物生成之趨勢，則與文獻相當一致。最後，另針對直接噴射注油火花點火汽油引擎於操作條件改變時，燃油噴霧參數之動態變化對引擎燃燒效能之影響進行研究探討，藉以了解引擎運轉條件改變時之噴霧參數動態變化，而有助於直接噴射火花點火汽油引擎動態噴油嘴之設計及開發。

　　This study includes numerical investigations of direct-injection engine spray combustion and emission. The results contribute to the development of a predictive model based on the KIVA-3V code for direct-injection engine combustion computations. The model incorporates tailored TAB models, the Shell ignition model and other numerical improvements in the KIVA-3V code.
　　The diesel spray combustion processes have been successfully simulated for both Caterpillar and Cummins diesel engines. Good levels of agreement in cylinder pressures, heat release rate data, and spray tip penetration lengths were obtained. Spray characteristics affected by the model constant of the modified TAB model and simulated combustion processes were examined with detailed two-phase flow fields presented. In comparison with experimental data, it is confirmed that the spray combustion can be well simulated using the modified TAB model together with the Shell ignition model, provided the model constant is appropriately selected (Caterpillar: ; Cummins: ).
　　A tailored TAB model (the TAB-C Model), based on the experimental breakup time correlation, was proposed in the present study. By considering different breakup times under distinct breakup regimes, the TAB-C model is capable to capture the transient breakup behaviors of the droplet. This predictive model demonstrates its superiority over the original TAB model and the TAB model with a modification to the constant for the predictions of the spray and combustion characteristics of a spray bomb test and two practical diesel engines. The proposed TAB-C breakup model moreover demonstrates a good capability in simulating the pressure-swirl hollow-cone spray with a lower injection pressure for a direct-injection spark-ignition (DISI) engine application.
　　The DISI gasoline engine combustion processes have been successfully investigated for different injection strategies under various fuel richness conditions using the improved KIVA-3V code in the present study. Effects of injection timings as well as A/F ratios on combustion performance and NO emission are examined. Optimal injection timings for different operating conditions are suggested. The early injection with SOI at 150° ATDC is optimal for operating at fuel rich (A/F=13.2, 14.7) and fuel lean (A/F=20) conditions. The late injection with SOI at 300° ATDC is optimal for operating at very lean (A/F=30) and ultra lean (A/F=40,50) conditions. The overall combustion performance and the NO emission behavior are shown affected by both the variation of injection timing as well as the A/F ratio. Qualitative agreements of NO predictions with literature reports were obtained. Based on the simulated results, an operating mode is suggested for the operation mode transition. The spray parameters including the injection velocity profile and duration, the spray cone angle, and the droplet size have demonstrate their significant influences on the in-cylinder gas-fuel interaction, mixture preparation, and the combustion processes.

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