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Study of the thermal conversions of organic carbon of Huadian oil shale during pyrolysis

机译：华电油页岩热解过程中有机碳热转化的研究

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摘要

The essence of kerogen decomposition in retorting process is organic carbon conversion. FTIR and GC-MS methods were employed in analyzing the conversion process of "kerogen -> bitumen" and "bitumen -> shale oil" in this paper. To achieve a deeper investigation of thermochemical transformation of organic carbon during the oil shale retorting, a set of physical models of carbon chains were constructed and analyzed using the transition state theory (TST) of quantum chemistry with gauss03 package. According to the results, the main reactions in the transformation of kerogen to bitumen are the re-integration of macromolecular structure and the breakup of oxygen-bridged bonds. Long alkyl chains containing functional groups decompose and transform to shorter alkanes, alkenes and aliphatic free radicals. The rupture of alkanes happens first at the middle position of long carbon chains. Alkyl free radicals further convert to alkanes, alkenes or aromatic rings. The alkanes take the highest content in shale oil. (C) 2016 Elsevier Ltd. All rights reserved.
机译：蒸煮过程中干酪根分解的本质是有机碳转化。本文采用FTIR和GC-MS方法分析了“干酪根->沥青”和“沥青->页岩油”的转化过程。为了对油页岩干馏过程中有机碳的热化学转化进行更深入的研究，构建了一套碳链物理模型，并使用带有gauss03软件包的量子化学过渡态理论（TST）进行了分析。根据结果​​，干酪根转化为沥青的主要反应是大分子结构的重新整合和氧桥键的断裂。含有官能团的长烷基链分解并转化为较短的烷烃，烯烃和脂肪族自由基。烷烃的断裂首先发生在长碳链的中间位置。烷基自由基进一步转化为烷烃，烯烃或芳环。页岩油中烷烃含量最高。 （C）2016 Elsevier Ltd.保留所有权利。

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  • 来源
    《Energy Conversion & Management》 |2016年第11期|284-292|共9页
  • 作者

    Chen Bin; Han Xiangxin; Li Qingyou; Jiang Xiumin;

  • 作者单位

    Shanghai Jiao Tong Univ, Inst Thermal Energy Engn, Sch Mech Engn, Shanghai 200240, Peoples R China;

    Shanghai Jiao Tong Univ, Inst Thermal Energy Engn, Sch Mech Engn, Shanghai 200240, Peoples R China;

    Shanghai Jiao Tong Univ, Inst Thermal Energy Engn, Sch Mech Engn, Shanghai 200240, Peoples R China;

    Shanghai Jiao Tong Univ, Inst Thermal Energy Engn, Sch Mech Engn, Shanghai 200240, Peoples R China;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    Oil shale; FTIR; GC-MS; Carbon conversion; Quantum chemistry;

    机译：油页岩FTIR GC-MS碳转化量子化学;

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