在染料工業中，有機原料經過一連串的化學反應後形成染料中間體，這些染料中間體再經過重氮化反應生成重氮化合物，再將重氮化合物經過偶合反應形成偶氮染料，這些偶氮染料經後處理之後成為染料，其中最重要的兩個步驟是重氮化反應與偶合反應。近年來，流動式反應器逐漸取代密閉式反應器，而在流動式反應器中進行重氮化反應與偶合反應反應時，需要考量到反應物的混合情況、反應溫度以及pH值等因素，以確保在進行反應後可以得到品質較高的產物。
本研究利用計算流體力學軟體CFD來建立重氮化反應與偶合反應的模型，並透過模擬的方式來針對在重氮化反應與偶合反應時，反應液體的混合、溫度變化、轉化率以及pH值。從模擬結果可以看出，在玻璃螺旋混合管的前半部分，兩種反應液體的混合已達完全。在產物的轉化率方面，重氮化反應與偶合反應皆達到九成。另外在偶合反應階段時，由於鹼性的環境會使重氮化合物產生結晶現象，因此在此階段的pH值也需要計算，經由結果顯示在Y型管的交接處pH值為偏酸性，所以不會有結晶產生。本研究已完成在實驗室等級的重氮化反應與偶合反應模擬，並且與實驗相符，未來可以藉由此模擬程序，來將此連續式反應器進行放大。

In the dye industry, organic raw materials undergo a series of chemical reactions to form dye intermediates. These dye intermediates are subjected to diazotization to form diazo compounds, and the diazo compounds are coupled to form azo dyes. These azo dyes are used. After the post-treatment, it becomes a dye, and the most important two steps are the diazotization reaction and the coupling reaction. In recent years, the flow reactor has gradually replaced the closed reactor, and when the diazotization reaction and the coupling reaction are carried out in the flow reactor, factors such as the mixing of the reactants, the reaction temperature, and the pH value need to be considered. Ensure that a higher quality product is obtained after the reaction.
In this study, the CFD was used to establish a model of diazotization reaction and coupling reaction, and the mixing, temperature change, conversion rate and pH value of the reaction liquid were analyzed by means of simulation. It can be seen from the simulation results that the mixing of the two reaction liquids has been completed in the first half of the glass spiral mixing tube. In terms of the conversion rate of the product, the diazotization reaction and the coupling reaction reached 90%. In addition, in the coupling reaction stage, the diazonium compound crystallizes due to the alkaline environment, so the pH value at this stage also needs to be calculated. The result shows that the pH value at the junction of the Y-tube is acidic, so There will be crystals.
This study has completed the laboratory-scale diazotization reaction and coupling reaction simulation, and is consistent with the experiment, which can be amplified by this simulation program in the future

中文摘要 i
Abstract ii
目錄 iii
圖目錄 v
表目錄 vii
第一章　緒論 1
1-1　研究背景 1
1-2　文獻回顧 3
1-2-1　微型混合器 3
1-2-2　重氮偶合反應 7
1-2-3　重氮偶合反應器 11
1-3　研究目的 14
1-4　章節安排 15
第二章　研究方法 16
2-1　模擬簡介 16
2-2　反應製程與材料 17
2-2-1 反應製程介紹 17
2-2-2 重氮偶合原物料 19
2-2-3幾何結構 20
2-3　反應動力學 26
2-3-1　重氮化反應階段 26
2-3-2　偶合反應階段 27
第三章　重氮化反應階段 28
3-1　重氮化反應階段簡介 28
3-2　模擬設定 29
3-2-1　統御方程式 29
3-2-2　入料條件與邊界條件 31
3-4　模擬結果 32
3-4-1　反應物混合情形 32
3-4-2　產物轉化率 35
3-4-3 溫度變化 39
第四章　偶合反應階段 41
4-1　偶合反應階段簡介 41
4-2　模擬設定 42
4-2-1　統御方程式 42
4-2-2　入料條件與邊界設定 44
4-3　模擬結果 45
4-3-1　反應物混合情形 45
4-3-2 產物轉化率 49
4-3-3 溫度變化 52
4-3-4 反應液體pH值 54
第五章　結論 55
第六章 參考文獻 56

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