研究CO2甲烷化反應之文獻不勝枚舉，本研究利用COMSOL軟體進行數值模擬，探討CO2甲烷化反應之情況，並使用商用鎳觸媒(66 wt% Ni/Al2O3)作為催化劑，於反應溫度200-500℃、等溫固定床管狀反應器中進行反應，分析不同入口流量10000-30000 ml g-1 h-1對反應性能之影響，發現流量越大，流速會越快，使反應越不完全，因此其CO2轉化率、CH4產率與CH4選擇性會隨著流量變大而變小，其中在300℃時CO2轉化率與CH4產率最少會下降大約8%，而CH4選擇性下降之幅度較小;接著探討在入口氣體加入0.5%、1%與1.5%之CO對CO2甲烷化反應造成的變化，發現加入CO會使產生之CH4減少，導致CH4產率與CH4選擇性下降，其中在300℃與流量10000 ml g-1 h-1之情況下，CH4產率最少會下降大約24%、CH4選擇性最少會下降大約27%，其CO2轉化率最少也會下降大約27%;而溫度為CO2甲烷化反應極為重要之因子，因溫度越高反應會越劇烈與完全，隨著溫度由200℃上升至300-350℃，其CO2轉化率、CH4產率與CH4選擇性會跟著上升至一臨界值隨後再下降，因此CO2甲烷化反應之最適反應溫度介於300-350℃之間。

There are numerous researches investigate CO2 methanation reaction. The purpose of this research is to investigate the performances of CO2 methanation reaction by numerical simulation of COMSOL software. Because Ni-based catalyst is the most prevailing catalyst, we used commercial Ni metal (66wt% Ni/SiO2-Al2O3) as the catalyst.
A fixed-bed tubular reactor is used as the physical model and axisymmetric isothermal governing for the gas flow, energy transfer and species transport are solved numerically. The reactant temperature is an important parameter for CO2 methanation reaction, which is carried out at 200-500°C in the research. The effect of different inlet flow rates and the presence of CO in feed gas were discussed in this research. The result showed that CO2 conversion、CH4 yield and CH4 selectivity would have better performances when the flow rate decreased. At 300 ° C, CO2 conversion and CH4 yield will decrease at least 8%, and CH4 selectivity will decrease less. An optimum temperature was determined at which the CO2 conversion had a maximum value. The CO2 conversion、CH4 yield and CH4 selectivity would increase to maximum values when the temperature increased. The presence of CO in the feed gas caused CO2 conversion、CH4 yield and CH4 selectivity decreased. At 300 ° C and flow rate of 10000 ml g-1 h-1, the CH4 yield will decrease at least 24%, the CH4 selectivity will decrease at least 27%, and the CO2 conversion will decrease at least 27%.

摘要 i
ABSTRACT ii
目 錄 iii
表目錄 v
圖目錄 vi
第1章 緒論 1
第2章 反應器 5
第3章 數學模型與數值方法 8
3-1模擬軟體介紹 8
3-2基本假設 8
3-3統御方程式 8
3.3.1質量守恆方程式 9
3.3.2動量方程式 9
3.3.3能量方程式 10
3.3.4物質方程式 10
3-4化學反應 11
3-5邊界條件 13
3.5.1反應器入口 13
3.5.2反應器出口 13
3.5.3氣體與反應器內壁之介面 13
3-6數值方法 13
第4章 結果與討論 15
4.1反應動力式驗證 15
4.2流量變化之影響 17
4.3溫度之影響 20
4.4入口加入CO之影響 24
第5章 結論 28
5.1結論 28
5.2未來建議 30
參考文獻 31
附錄 35

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