A PC-SAFT model for hydrocarbons II: General model development

Marshall, Bennett D.; Bokis, Constantinos P.

doi:10.1016/j.fluid.2018.09.002

Cited by 14 publications

(21 citation statements)

References 31 publications

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“…We have demonstrated that, while aromatic molecules are not dipolar, they behave like dipolar molecules in solution. 8,9 The relevant polarity parameter is the polar strength α p which is defined in terms of the fraction of polar segments x p , dipole moment μ, and chain length m…”

Section: Extension Of Tapps To Vacuum Residuum Range Moleculesmentioning

confidence: 99%

“…Equation 3, we adjust the parameters c 1 -c 6 to reproduce the "data" ε in the modified parameter library as discussed in the original 8 reference.…”

Section: Extension Of Tapps To Vacuum Residuum Range Moleculesmentioning

confidence: 99%

“…The modified parameter library was developed 8 This approach allows for a much more accurate parameter model to be developed, than could be obtained if all parameters (m, σ, ε)…”

Section: Extension Of Tapps To Vacuum Residuum Range Moleculesmentioning

confidence: 99%

“…Note, extreme care was taken in the construction of Equations (8) and (10) to ensure that they were well behaved in the high MW limit.…”

Section: Extension Of Tapps To Vacuum Residuum Range Moleculesmentioning

confidence: 99%

“…For example, dividing Equations (8) and (10) by the m correlation given in Equation 2and taking the large MW limit, the energy ε becomes independent of MW and the segment diameter becomes a weak function of molecular weight σ 3 MW 0.06 . Figure 4 gives correlation predictions of Equations (8) and 10as a function of MW for several value of SG. As can be seen, the correlations are very well behaved in the high MW limit.…”

Section: Extension Of Tapps To Vacuum Residuum Range Moleculesmentioning

confidence: 99%

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A PC‐SAFT model for heavy hydrocarbon thermodynamics in downstream separation processes

et al. 2020

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The Advanced Petroleum Parameterization Scheme (TAPPS) provides a very accurate method to determine pure component petroleum fraction model parameters for the polar PC-SAFT equation of state. In this work we extend the TAPPS/PC-SAFT petroleum thermodynamics methodology to vacuum residuum (VR) ranged molecules. The challenge for these heavy species is twofold: first, the normal boiling point ceases to be a sensible descriptor of molecular size; and second, the phase behavior of interest in downstream processing is liquid-liquid equilibria (LLE). We develop new parameter models for both unary and binary polar PC-SAFT parameters for VR ranged molecules. In addition to PC-SAFT parameters, we also develop a scheme to redefine a detailed model of composition to a number of pseudo-components manageable in a process simulator (10 2) using a lumping scheme based on the fraction of aromatic carbon and molecular weight. We demonstrate that this methodology allows for the accurate description of VR/paraffin LLE.

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Section: Extension Of Tapps To Vacuum Residuum Range Moleculesmentioning

confidence: 99%

“…Equation 3, we adjust the parameters c 1 -c 6 to reproduce the "data" ε in the modified parameter library as discussed in the original 8 reference.…”

Section: Extension Of Tapps To Vacuum Residuum Range Moleculesmentioning

confidence: 99%

“…The modified parameter library was developed 8 This approach allows for a much more accurate parameter model to be developed, than could be obtained if all parameters (m, σ, ε)…”

Section: Extension Of Tapps To Vacuum Residuum Range Moleculesmentioning

confidence: 99%

“…Note, extreme care was taken in the construction of Equations (8) and (10) to ensure that they were well behaved in the high MW limit.…”

Section: Extension Of Tapps To Vacuum Residuum Range Moleculesmentioning

confidence: 99%

Section: Extension Of Tapps To Vacuum Residuum Range Moleculesmentioning

confidence: 99%

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