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1、运用CHEMKIN软件进行NaCl添加剂对 烟气汞形态转化影响数值模拟研究主讲人：沈敏强 单位：上海电力学院 Evaluation only.Evaluation only. Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0.Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0. Copyright 2004-2011 Aspose Pty Ltd.Copyright 2004-2011 Aspose Pty Ltd.主要内容l1.CHEMKIN软
2、件的简要介绍；1.1 CHEMKIN反应器模型；1.2 CHEMKIN软件核心程序 ；1.3 CHEMKIN问题建模；l2. CHEMKIN学习建模案例；2.1燃煤烟气中汞的化学热力学平衡分析；Evaluation only.Evaluation only. Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0.Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0. Copyright 2004-2011 Aspose Pty Ltd.Copyrigh
3、t 2004-2011 Aspose Pty Ltd.1.CHEMKIN软件的简要介绍l CHEMKIN软件是一款大型的气相化学反应 动力学软件,可以用来解决带有化学反应的流 动问题,是燃烧领域中普遍使用的一个模拟计 算软件。Evaluation only.Evaluation only. Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0.Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0. Copyright 2004-2011 Aspose
4、Pty Ltd.Copyright 2004-2011 Aspose Pty Ltd.1.1 CHEMKIN反应器模型Evaluation only.Evaluation only. Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0.Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0. Copyright 2004-2011 Aspose Pty Ltd.Copyright 2004-2011 Aspose Pty Ltd.1.2 CHEMKIN
5、软件核心程序CHEMKIN软件核心程序气相动力学 表面动力学 气体传送器 热力学数据 TWOPNT Evaluation only.Evaluation only. Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0.Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0. Copyright 2004-2011 Aspose Pty Ltd.Copyright 2004-2011 Aspose Pty Ltd.1.3 CHEMKIN问题建模 lCHE
6、MKIN建模包括6个基本步骤：1.模型选用。2.创建反应器或反应网络图，图表中包括入口和适当 连接。3.进行化学设定并进行预处理（输入气相动力学数据 和热力学数据）。4.设定反应器和入口条件，包括：几何学（非必须） 、处理条件、解决方法选项（非必须）；5.创建工程输入文件并运行。6.利用CHEMKIN后处理器进行后处理。Evaluation only.Evaluation only. Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0.Created with Aspose.Slides for .NET 3.5 Cli
7、ent Profile 5.2.0.0. Copyright 2004-2011 Aspose Pty Ltd.Copyright 2004-2011 Aspose Pty Ltd.2.燃煤烟气中汞的化学热力学平衡分析l2.1 模型建立l2.2 烟气中添加NaCl对汞热力学平衡的影响Evaluation only.Evaluation only. Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0.Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0
8、. Copyright 2004-2011 Aspose Pty Ltd.Copyright 2004-2011 Aspose Pty Ltd.2.1 模型建立lNaCl影响汞转化的机理 ：Evaluation only.Evaluation only. Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0.Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0. Copyright 2004-2011 Aspose Pty Ltd.Copyright
9、2004-2011 Aspose Pty Ltd.l 当有硫化物共存时，氯化物可借助于O2,促 使Cl2的形成，这就更加促进了单质汞向二价 汞的转化。 Evaluation only.Evaluation only. Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0.Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0. Copyright 2004-2011 Aspose Pty Ltd.Copyright 2004-2011 Aspose Pt
10、y Ltd.l Hg与HCl的直接反应: l 对于含HCl烟气体系中Hg的氧化，可能的 反应如下：l Evaluation only.Evaluation only. Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0.Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0. Copyright 2004-2011 Aspose Pty Ltd.Copyright 2004-2011 Aspose Pty Ltd.模拟中烟气成分 物 质N2CO2O2H
11、2O NOSO2HClHg摩 尔 含 量 0.77 0.12 0.06 0.05 0.00 120.00 063.5 E-63.5 E-9Evaluation only.Evaluation only. Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0.Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0. Copyright 2004-2011 Aspose Pty Ltd.Copyright 2004-2011 Aspose Pty Ltd.化
12、学热力学平衡时各温度下 各形态汞分布图Evaluation only.Evaluation only. Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0.Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0. Copyright 2004-2011 Aspose Pty Ltd.Copyright 2004-2011 Aspose Pty Ltd.氯化钠添加量对汞热力学平衡形态的影响 Evaluation only.Evaluation only.
13、 Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0.Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0. Copyright 2004-2011 Aspose Pty Ltd.Copyright 2004-2011 Aspose Pty Ltd.氯化钠添加量对HgO热力学平衡的影响 Evaluation only.Evaluation only. Created with Aspose.Slides for .NET 3.5 Client Pro
14、file 5.2.0.0.Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0. Copyright 2004-2011 Aspose Pty Ltd.Copyright 2004-2011 Aspose Pty Ltd.l 化学热力学研究的基本前提是假设燃烧过 程中体系近似处于平衡态，但是这一前提与痕 量元素在锅炉内的实际过程存在一定差别。热 力学计算结果揭示了汞各种形态形成的基本反 应途径，但它仅能粗略估计系统在某一平衡状 态下的主要产物，而在许多情况下系统中组分 浓度都会偏离平衡 Evaluation only.Ev
15、aluation only. Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0.Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0. Copyright 2004-2011 Aspose Pty Ltd.Copyright 2004-2011 Aspose Pty Ltd.结 语 l CHEMKIN软件不仅可以对煤燃烧过程中 汞形态转化特性进行化学热力学平衡分析,而 且可以进行化学反应动力学分析。l 本论文限于文章的篇幅，未对煤燃烧过程 中汞形态
16、转化特性用化学反应动力学进行详细 分析。对于其他相关的领域，也没有进行更多 的模拟计算。希望以后用CHEMKIN软件进行 分析的学者能对CHEMKIN软件的功能更好得 加以利用。 Evaluation only.Evaluation only. Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0.Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0. Copyright 2004-2011 Aspose Pty Ltd.Copyright 2004-2011 Aspose Pty Ltd.
