粉煤(pulverized coal)鍋爐發電時所產生的粗煤氣(raw gas)，在經過淨化與水煤氣轉化反應(water gas-shift reaction)的處理後，會成為以氮氣、二氧化碳、氫氣為主成分之合成氣體。其中氫氣可做為燃料電池的燃料；而二氧化碳則為造成溫室效應的主要溫室氣體。因此若能夠把兩者分離，將氫氣加以使用並把二氧化碳封裝儲存是兼顧能源與環保的理想目標。 變壓吸附程序是一種簡單、經濟且有效率的分離氣體程序，本研究將利用數值模擬的方法，發展出一套能夠有效分離含氫氣與二氧化碳合成氣的變壓吸附系統。模擬上將分成兩階段，利用不同的製程與吸附劑的搭配，處理組成為10%氮氣、50%二氧化碳、40%氫氣的合成氣體。 在驗證程式的適用性後，針對合成氣的組成與流量設計系統的操作參數，在裝置流程的設計上將分成兩階段來處理氣體。第一階段為H2-PSA製程，吸附劑使用5A沸石與活性碳，目摽為將合成氣的氫氣濃度提升至99%（回收率80%）；第二階段為CO2-PSA製程，吸附劑使用13X沸石，目標為濃縮與回收來自第一階段塔底排氣的強吸附成分氣體，使二氧化碳濃度提升至90%（回收率80%）。本研究將探討各操作變數（如：進料壓力、吸附塔塔長、步驟時間等）對模擬結果的影響，尋求最佳分離的操作條件。以做為未來建立大規模工廠設備之參考。 The raw gas produced from boiler which generates electricity by burning pulverized coal, after passing through gas clean up system and water gas-shift reactor, becomes the syngas with main components nitrogen, carbon dioxide and hydrogen. Hydrogen can be used as a fuel of fuel cells. Carbon dioxide is the greenhouse gas which creates the greenhouse effect. For energy and environment consideration, it is important to separate these two components and to handle them separately. Pressure swing adsorption (PSA) is a simple, economical and effective gas separating method. For purifying the hydrogen and carbon dioxide form syngas, this study plans to develop a PSA system by using numerical simulation method. The simulation includes two stages. We want to handle the syngas which contains 10% nitrogen, 50% carbon dioxide and 40% hydrogen by using several process and adsorbent. After confirming the accuracy of the simulation program, we design the equipment and process for two-stage PSA system. The operating condition and scale of the device are based on the components of syngas and feed flowrate. For stages 1 H2-PSA process, we use zeolite 5A and activated carbon as the adsorbent in order to concentrate the purity of hydrogen to 99% (recovery 80%). Stage 2 is CO2-PSA process, which is used to concentrate carbon dioxide from stage 1, and utilizes zeolite 13X as the adsorbent in order to concentrate the carbon dioxide purity to 90% (recovery 80%). The optimal operating conditions is obtained by changing the operating variables, such as feed pressure, adsorber length and step time. The simulation results get basic information for the after-IGCC factory design in future project.