| 曾健青,钟炳中.水煤气变换反应初始微观反应动力学的模拟研究[J].分子催化,1999,(2):131-136 |
| 水煤气变换反应初始微观反应动力学的模拟研究 |
| Simulation Study of the Initial Microkinetics of Water\|Gas Shift Reaction |
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| DOI： |
| 中文关键词: 水气转移反应 微观动力学 水煤气变换反应 WGS |
| 英文关键词:Water\|gas shift reaction, Initial microkinetics, Monte Carlo simulation, |
| 基金项目: |
| 曾健青 钟炳中 |
| [1]中国科学院广州化学研究所 [2]国科学院山西煤炭化学研究所 |
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| 中文摘要: |
| 用蒙特水罗方法对水气转移反应两种典型机理的寝反应动力学进行了研究。结果表明，Ｔｅｍｋｉｎ等人的氧化－还原机理中，无论反应物ＣＯ和Ｈ２Ｏ的相对浓度怎样变化，ＣＯ２和Ｈ２的初始生成速率总是相差很大。 |
| 英文摘要: |
| The initial kinetics of two typical mechanisms for water\|gas shift reaction has been studied by Monte Carlo method. The simulated results show that (1) for oxidation\|reduction mechanism proposed by Temkin, the initial rate of CO2 formation is always much larger than that of H2 no matter what the ratio of CO concentration to H2O concentration is. (2) For L\|H mechanism proposed by Oki , the characteristics of CO2 and H2 initial formation rate changes with the ratio of CO concentration to H2O concentration. When H2O concentration is much higher than that of CO the initial rate of H2 formation is much larger than that of CO2. However, when CO concentration is higher than that of H2O the rate of H2 formation is all the time in step with that of CO2. Finally, when OH* diffusion or H2O* desorption is considered the kinetic characteristics described above are still obvious. |
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