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Thermodynamic equilibrium calculations of hydrogen production from the combined processes of dimethyl ether steam reforming and partial oxidation

机译:二甲醚蒸汽重整与部分氧化联合过程制氢的热力学平衡计算

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Thermodynamic analyses of producing a hydrogen-rich fuel-cell feed from the combined processes of dimethyl ether (DME) partial oxidation and steam reforming were investigated as a function of oxygen-to-carbon ratio (0.00-2.80), steam-to-carbon ratio (0.00-4.00), temperature (100℃-600℃), pressure (1-5 atm) and product species. Thermodynamically, dimethyl ether processed with air and steam generates hydrogen-rich fuel-cell feeds; however, the hydrogen concentration is less than that for pure DME steam reforming. Results of the thermodynamic processing of dimethyl ether indicate the complete conversion of dimethyl ether to hydrogen, carbon monoxide and carbon dioxide for temperatures greater than 200℃, oxygen-to-carbon ratios greater than 0.00 and steam-to-carbon ratios greater than 1.25 at atmospheric pressure (P= 1 atm). Increasing the operating pressure has negligible effects on the hydrogen content. Thermodynamically, dimethyl ether can produce concentrations of hydrogen and carbon monoxide of 52% and 2.2%, respectively, at a temperature of 300℃, and oxygen-to-carbon ratio of 0.40, a pressure of 1 atm and a steam-to-carbon ratio of 1.50. The order of thermodynamically stable products (excluding H_2, CO, CO_2, DME, NH_3 and H_2O) in decreasing mole fraction is methane, ethane, isopropyl alcohol, acetone, n-propanol, ethylene, ethanol and methyl-ethyl ether; trace amounts of formaldehyde, formic acid and methanol are observed. Ammonia and hydrogen cyanide are also thermodynamically favored products. Ammonia is favored at low temperatures in the range of oxygen-to-carbon ratios of 0.40-2.50 regardless of the steam-to-carbon ratio employed. The maximum ammonia content (i.e., 40%) occurs at an oxygen-to-carbon ratio of 0.40, a steam-to-carbon ratio of 1.00 and a temperature of 100℃. Hydrogen cyanide is favored at high temperatures and low oxygen-to-carbon ratios with a maximum of 3.18% occurring at an oxygen-to-carbon ratio of 0.40 and a steam-to-carbon ratio of 0.00 in the temperature range of 400℃-500℃. Increasing the system pressure shifts the equilibrium toward ammonia and hydrogen cyanide.
机译:研究了由二甲醚(DME)部分氧化和蒸汽重整的组合过程生产富氢燃料电池进料的热力学分析,该过程是氧碳比(0.00-2.80),蒸汽碳比的函数比例(0.00-4.00),温度(100℃-600℃),压力(1-5 atm)和产品种类。在热力学上,用空气和蒸汽处理的二甲醚产生富氢的燃料电池原料。但是,氢气浓度低于纯DME蒸汽重整的氢气浓度。二甲醚的热力学处理结果表明,温度高于200℃,氧碳比大于0.00和蒸汽碳比大于1.25时,二甲醚已完全转化为氢气,一氧化碳和二氧化碳。大气压力(P = 1 atm)。增加工作压力对氢含量的影响可忽略不计。在热力学上,二甲醚在温度为300℃,氧碳比为0.40,压力为1 atm且水蒸气比碳的条件下,氢气和一氧化碳的浓度分别为52%和2.2%。比为1.50。摩尔分数递减的热力学稳定产物(不包括H_2,CO,CO_2,DME,NH_3和H_2O)的顺序为甲烷,乙烷,异丙醇,丙酮,正丙醇,乙烯,乙醇和甲基乙基醚;观察到痕量的甲醛,甲酸和甲醇。氨和氰化氢也是热力学上有利的产物。氨在低温下优选在氧碳比为0.40-2.50范围内,而与所采用的蒸汽碳比无关。最大的氨含量(即40%)发生在氧碳比为0.40,水蒸气碳比为1.00,温度为100℃的情况下。氰化氢在高温和低氧碳比下是有利的,在400℃的温度范围内,当氧碳比为0.40且水蒸气碳比为0.00时,最高为3.18%。 500℃。增加系统压力会使平衡向氨和氰化氢移动。

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