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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• 作者：Daniel Van Niekerk ; Fidel Castro-Marcano ; Coray M. Colina ; Jonathan P. Mathews
• 刊名：Energy & Fuels
• 出版年：2011
• 出版时间：June 16, 2011
• 年：2011
• 卷：25
• 期：6
• 页码：2559-2564
• 全文大小：796K
• 年卷期：v.25,no.6(June 16, 2011)
• ISSN：1520-5029

文摘

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鈥搃onization time-of-flight mass spectrometry). The pure-component parameters for the 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鈥揷oal interaction predictions.