本文以數值方法建立甲醇重組反應器之模擬分析模式，並應用於兩組圓柱型甲醇重組反應器之模擬分析。其中一組為定溫式甲醇重組反應器，使用Cu/ZnO觸媒。另一組為自熱式甲醇重組反應器，使用Pt/CeO2-ZrO2。經由數值模擬分析結果與實驗結果比較顯示，本研究建立之分析模式可準確地預測甲醇轉化率及氫氣之產出率。經由數值模擬預測，本研究同時證實提高定溫式甲醇重組反應器燃料空間流速與觸媒熱傳導係數可以有效地提升甲醇重組之效能。至於在自熱式重組器之模擬上發現，相較於甲醇解離及水氣轉化反應，部分氧化反應之反應速率相對地較低，且本研究計算之結果在溫度分布趨勢以及甲醇轉化率上與實驗值一致。本研究結合以上之模擬經驗配合一氣衝式噴嘴，以數值計算分析將甲醇以噴霧之方式在一自熱式反應器重組反應之影響，以及更細部的流場、溫度場、成分濃度分布之探討，發現在增大噴霧角度能提高甲醇轉化率並且提高溫度。縮小噴嘴口徑也能提高反應溫度及甲醇轉化率。

A numerical simulation model for the analysis of methanol reformers is developed in the present study. It has been applied to the analysis of two cylindrical methanol reformers. One is an isothermal methanol reformer, employing the catalyst of Cu/ZnO, the other is an auto-thermal reformer with the catalyst of Pt/CeO_2-ZrO_2. The methanol conversion and the hydrogen generation rates are predicted by the present simulation model in good agreement with the experiments. It has also been found that for the isothermal methanol reformer, increasing the space velocity and the thermal conductivity of the catalyst enhances the conversion of methanol. For the auto-thermal reformer, it is found that the reaction rate of the partial oxidation is relatively lower than those of the methanol decomposition and the water-gas shift reaction. In the present study, it is also found that the trends of the temperature distribution and the methanol conversion rate are consistent with the experimental results. The present study further analyzes an ATR reactor installed with an air-blast atomizer for atomizing liquid methanol. The detailed distributions of the flow field, temperature, and species concentration are predicted. It is found that both enlarging the spray angle and reducing the spray nozzle size increase the Methanol conversion rate and the reaction temperature .

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