臺灣博碩士論文加值系統

本研究針對三氯甲烷/甲烷/氧氣/氬氣在一維度、層流、富燃料、預混
之平板火焰情況下，探討燃燒火焰之化學結構，同時配合電腦模擬，瞭解
模擬值與實驗值之差異，並進行敏感度分析以得出各物種相關之最重要反
應式。 三氯甲烷燃燒火焰於本研究提出討論之反應物包括：CHCl3、
CH4、O2、Ar，最終產物包括：CO、CO2、H2O、HCl及Ar，而相關之中間產
物包括：C2H4、C2H6、C2H2、C4H2、C4H4、CH2Cl2、C2H3Cl、CH3Cl
、1,1-C2H2Cl2、C2HCl3、1,2-C2H2Cl2及C2H2Cl4。 火焰化學結構之電
腦模擬部份，乃利用美國Sandia 國家實驗室所發展之火焰模擬程式進行
推估。本電腦模式計可分為三大部分，分別為Chemkin、Trans、Premix，
利用前兩部份所求得之相關物種熱力化學及熱力物理學資料後在統一輸入
主程式Premix進行演算，以求得模擬物種之莫耳濃度分率，再與實驗結果
比較可瞭解兩者之間具有相同的趨勢性。 最後再利用敏感度分析來確
認整個反應機制中各個物種其生成與消滅的反應路徑，進一步加以修正原
先模式中反應機制的正確性，使實驗結果與模式值之間的差異減至最小。

The chemical structure of trichloromethane/methane/oxygen/
argon was studied by using a flat flame burner facility in one-
dimensional, laminar, fuel rich and premixed flames. Meanwhile,
computer model simulation was studied and compared with the
experiment results. Sensitivity analysis was also used to
understand the reaction path. In all reaction mechanism, CHCl3
、CH4、O2、Ar acted as reactants, CO、CO2、H2O、HCl、Ar was
known as products, while related intermediate products were C2H4
、C2H6、C2H2、C4H2、C4H4、CH2Cl2、C2H3Cl、CH3Cl、1,1-C2H2Cl2、C2
HCl3、1,2-C2H2Cl2、C2H2Cl4. In computer simulation of kinetic
chemical structure of flame, Flame Code of Sandia National Lab
was utilized. This flame code was divided into three parts:
"Chemkin"、"Trans" and "Premix". The main program part was
"Premix", which was linked to the Thermochemical Data and
Thermophysical Data, resulted in mole fraction of species in
simulation. In this study, the experiments data and model
results was showed as the same trend. Finally, the reaction
path of each species was verified with sensitivity analysis, and
the errors in existed reaction mechanism were corrected in order
to make this mechanism more fitting.