本研究建立三維甲醇水蒸汽重組反應器之數值模擬分析模式，並應用於本研究團隊實驗之模擬分析。本研究分為三部分，第一部分為模擬固定壁溫不含噴霧之甲醇水蒸汽重組反應，並與文獻及本研究團隊之實驗比對，以確定本研究模擬之準確性；第二部分為建立固定壁溫且含噴霧模型之甲醇水蒸汽重組器，並與實驗結果比較，驗證含噴霧重組器模型之準確性；第三部分為模擬實驗加熱殼管內溫度分佈，結合第一部分與第二部分之模擬經驗，建立含氧化觸媒殼管之重組反應器模型，並比較在不同氧氣對甲醇比（以下簡稱O2/C比）下溫度分佈的結果。
由第一部分的模擬結果看出各成分濃度分佈與文獻趨勢相符，而在與本研究團隊實驗結果比對部分，發現模擬之氫氣濃度與實驗結果相誤差小於1 %，且甲醇轉換率在S/C比大於1時達99 %以上。第二部分模擬含噴霧重組器之結果部分，顯示出模擬的甲醇轉換率較實驗高約10 %左右。第三部分則可看出，在加熱殼管中以氣態甲醇為燃料的情況下，溫度隨著O2/C比上升而先升後降。

This study builds numerical simulation of a three-dimensional methanol steam reforming reactor. The study includes three parts, the first part is to simulate the methanol steam reforming reaction of fixed wall temperature without spray, and then to the results with the literature and the experimental data of our research team to confirm the accuracy of this simulation. The second part is to build the methanol steam reforming reaction of fixed wall temperature with spray model, and then to compare the results with experimental data to verify this model. The third part is to simulate the temperature distribution of the heating shell tube of experiments. Combining experience of simulation in the first part and the second part builds the reforming reactor model with the shell tube and heating catalyst. In addition, the temperature distributions are investigated at different O2/C ratio.
The simulation results of the first part show that the concentration distribution of each component matches with the literature’s trend. In the first part, the result of between simulation and experiment of the hydrogen concentration is less than 1 %, and the methanol conversion rate at S/C ratio is greater than 1 can up to 99 %. In the second part, the result of between simulation and experiment shows that the methanol conversion rate of simulated is higher than experimental about 10 %. In the third part, the temperature first rises and then drops with raising the O2/C ratio using a gaseous methanol as fuel in the heating shell tube.

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