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首页> 外文期刊>Energy & fuels >Solvent Swelling Extent of Permian-Aged Vitrinite- and Inertinite-Rich Coals: Experiments and Modeling Using the Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT)
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Solvent Swelling Extent of Permian-Aged Vitrinite- and Inertinite-Rich Coals: Experiments and Modeling Using the Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT)

机译:二叠系老化的黑云母和惰质富煤的溶剂溶胀程度:使用扰动链统计缔合流体理论(PC-SAFT)进行的实验和建模

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摘要

The perturbed-chain statistical associating fluid theory (PC-SAFT) was used to predict the solvent swelling extent of vitrinite- and inertinite-rich coals. These two maceral different coals yet similar in rank and carbon content were modeled as a mixture of pseudo-components according to molecular-weight fractions (obtained from laser desorption-ionization time-of-flight mass spectrometry). The pure-component parameters for die solvents used for solvent swelling (pyridine, N-methylpyrrolidone, and the binary mixture of carbon disulfide and N-methylpyrrolidone) were determined by simultaneous fitting to experimental vapor pressure and liquid density data. The predicted swelling trends obtained from the PC-SAFT were comparable to experimental swelling extents. This approach may be a promising tool for solvent-coal interaction predictions.
机译:扰动链统计缔合流体理论(PC-SAFT)用于预测富含镜质体和惰质体的煤的溶剂溶胀程度。根据分子量分数(从激光解吸电离飞行时间质谱法获得),将这两种主要成分不同但煤和碳含量相似的不同煤建模为假组分的混合物。通过同时拟合实验蒸气压和液体密度数据,确定用于溶剂溶胀的溶剂(吡啶,N-甲基吡咯烷酮以及二硫化碳和N-甲基吡咯烷酮的二元混合物)的纯组分参数。从PC-SAFT获得的预测溶胀趋势与实验溶胀程度相当。这种方法可能是溶剂-煤相互作用预测的有前途的工具。

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  • 来源
    《Energy & fuels》 |2011年第mayajuna期|p.2559-2564|共6页
  • 作者单位

    John and Willie Leone Department of Energy & Mineral Engineering, The EMS Energy Institute, The Pennsylvania State University, Hosier Building, University Park, Pennsylvania 16802, United States;

    John and Willie Leone Department of Energy & Mineral Engineering, The EMS Energy Institute, The Pennsylvania State University, Hosier Building, University Park, Pennsylvania 16802, United States,Department of Materials Science and Engineering, The Pennsylvania State University, Steidle Building, University Park, Pennsylvania 16802, United States;

    Department of Materials Science and Engineering, The Pennsylvania State University, Steidle Building, University Park, Pennsylvania 16802, United States;

    John and Willie Leone Department of Energy & Mineral Engineering, The EMS Energy Institute, The Pennsylvania State University, Hosier Building, University Park, Pennsylvania 16802, United States;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);
  • 原文格式 PDF
  • 正文语种 eng
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