| 燃煤过程中微量元素形态转化的热力学模拟 |
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| 引用本文： | 孟韵,张军营,郑楚光,钟秦,刘海明. 燃煤过程中微量元素形态转化的热力学模拟[J]. 煤炭转化, 2002, 25(3): 6-10 |
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| 作者姓名： | 孟韵 张军营 郑楚光 钟秦 刘海明 |
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| 作者单位： | 1. 华中科技大学煤燃烧国家重点实验室,430074,武汉
2. 南京理工大学化工学院,210094,南京 |
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| 基金项目： | 国家自然科学基金资助项目 (5 0 1760 19)，国家重点基础研究发展规划项目 (G19990 2 2 2 12 )，东南大学洁净煤发电和燃烧技术教育部重点实验室访问学者基金资助项目 |
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| 摘 要： | 煤燃烧过程中微量元素的形态转化是一种多元多相化学平衡与相平衡共存的复杂过程，热力学模拟在评价煤燃烧过程中微量元素的转化形态方面是一种十分重要的分析工具。介绍了最常用的热力学模拟方法－Gibbs自由能最小法（GEA），内容包括基本原理和常用算法－Lagrange乘因子法、常用的软件包、热力学数据的来源及数据库等，概述了热力学模拟方法在煤燃烧过程中微量元素转化形态方面的应用，最后对模拟方法的优点和局限性进行了评价。
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| 关 键 词： | 燃煤过程 微量元素 热力学模拟 转化形态 煤燃烧 |
THERMODYNAMIC EQUILIBRIUM SIMULATION OF TRACE ELEMENTS SPECIATION IN COAL COMBUSTION |
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| Meng Yun Zhang Junying Zheng Chuguang Zhong Qin and Liu Haiming. THERMODYNAMIC EQUILIBRIUM SIMULATION OF TRACE ELEMENTS SPECIATION IN COAL COMBUSTION[J]. Coal Conversion, 2002, 25(3): 6-10 |
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| Authors: | Meng Yun Zhang Junying Zheng Chuguang Zhong Qin and Liu Haiming |
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| Affiliation: | Meng Yun Zhang Junying Zheng Chuguang Zhong Qin and Liu Haiming * |
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| Abstract: | The prediction of trace elements speciation during coal combustion is very complex because there are numerous interactions existing in the multicomponent and multiphase system.Thermodynamic equilibrium simulation,which is a powerful tool,may provide a useful guide to the chemical fate of trace elements and their probable reactions in coal combustion process.A review about the thermodynamic equilibrium simulations applied to trace elements partitioning from coal combustion is given in this study.It includes the fundamental principles of this method and the method of undetermined Lagrange multipliers,the commercially available thermodynamic simulation packages and thermodynamic database,the application to trace elements partitioning from coal combustion.Finally,the evaluation about the method is performed. |
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| Keywords: | thermodynamic equilibrium simulation trace element speciation coal combustion |
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