Application of the van der Waals equation of state to polymers

Kontogeorgis, Georgios M.; Harismiadis, Vassilis I.; Fredenslund, Aage; Tassios, Dimitrios P.

doi:10.1016/0378-3812(94)80088-x

Cited by 69 publications

(54 citation statements)

References 42 publications

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“…This is the only difference between this mixing rule and the one proposed by Wong and Sandler [8]. As a result, only one parameter is necessary in the new mixing rule, which is much simpler than the method of Wong and Sandler [8], and is as simple as Kontogeorgis et al method [9]. When using the new mixing rule for ten polymer solutions in a wide temperature range, the results show that it allows cubic equations of state to correlate the vapor-liquid equilibrium of polymer solutions precisely even if just one temperature independent parameter is used.…”

Section: Mixing Rules For Excess Free Energy (G E ) Modelsmentioning

confidence: 95%

See 1 more Smart Citation

A Survey of Equations of State for Polymers

Guerrieri¹,

Pontes²,

Costa³

et al. 2012

Polymerization

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Section: Mixing Rules For Excess Free Energy (G E ) Modelsmentioning

confidence: 95%

“…Kontogeorgis et al [9] used the van der Waals equation of state to correlate vapor-liquid equilibrium data of polymer solutions. They proposed a method to calculate the interaction parameter a and co-volume b in the equation of state for polymers from two volumetric datasets at low pressure.…”

Section: Cubic Equations Of State and Mixing Rulesmentioning

confidence: 99%

A Survey of Equations of State for Polymers

Guerrieri¹,

Pontes²,

Costa³

et al. 2012

Polymerization

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“…375,376 Using generalized van der Waals theory, Sako et al 377 obtained a threeparameter cubic equation of state which was the first applied to polymer solutions: 375,376 Using generalized van der Waals theory, Sako et al 377 obtained a threeparameter cubic equation of state which was the first applied to polymer solutions:…”

Section: Fugacity Coefficients From Equations Of Statementioning

confidence: 99%

“…378 Temperature functions and combining/mixing rules for parameters a, b, c are not discussed here because quite different approximations may be used. [375][376][377][378][379][380] Orbey and Sandler 380 applied the Peng-Robinson equation of state as modified by Stryjek and Vera 381 (PRSV): which are particularly suitable for highly asymmetric systems, i.e., also polymer solutions, and demonstrated that only one adjustable temperature-independent parameter is necessary for calculations within a wide range of temperatures. [375][376][377][378][379][380] Orbey and Sandler 380 applied the Peng-Robinson equation of state as modified by Stryjek and Vera 381 (PRSV): which are particularly suitable for highly asymmetric systems, i.e., also polymer solutions, and demonstrated that only one adjustable temperature-independent parameter is necessary for calculations within a wide range of temperatures.…”

Section: Fugacity Coefficients From Equations Of Statementioning

confidence: 99%

Methods for the Measurement of Solvent Activity of Polymer Solutions

Wohlfarth

2014

Handbook of Solvents

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“…In a series of articles published in the period 1994-1996, Kontogeorgis et al 87 and Harismiadis et al [88][89][90] have extended the vdW EoS to polymers. The pure polymer parameters were estimated from two volume-temperature data at P ¼ 0 (a rather simplified approach).…”

Section: A Simple First Approach: Application Of the Vdw Eos To Polymersmentioning

confidence: 99%

The EoS/G^EMixing Rules for Cubic Equations of State

Kontogeorgis

Folas

2009

Thermodynamic Models for Industrial Applications

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The range of applicability of cubic equations of state (EoS) (using the standard van der Waals one-fluid mixing rules) and g E models (especially the local composition ones) is illustrated in Table 6.1 and schematically also in Figure 6.1. In a somewhat simplified way, Figure 6.1 illustrates the advantages which may be obtained by combining the strengths of both approaches (i.e. the cubic EoS and the activity coefficient models) and thus having a single model suitable for phase equilibria (at least VLE) of polar and non-polar mixtures and at both low and high pressures. This combination of EoS and g E models has been possible via the so-called EoS/G E models, which are essentially mixing rules for, typically, the energy parameter of cubic EoS. These mixing rules permit the incorporation of an expression for the excess Gibbs energy g E (i.e. an activity coefficient model) inside the EoS, permitting thus a cubic EoS to be applied to polar compounds at high pressures as well.The starting point for deriving most (but not all) EoS/G E models is the equality of the excess Gibbs energies from an EoS and from a (successful) explicit activity coefficient model at a suitable reference pressure, P:where a suitable reference pressure P can be, for example, the infinite pressure (Huron-Vidal, Wong-Sandler models) or the zero pressure (e.g. MHV2, the PSRK models), while the superscript Ã refers to the specific activity coefficient model, e.g. NRTL. The right-hand part of Equation (6.1) is the g E expression of an explicit activity coefficient model, e.g. Wilson, NRTL or UNIQUAC (see Chapters 4 and 5), whereas the g E of the EoS is obtained from classical thermodynamics when the fugacity expression is known:

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Application of the van der Waals equation of state to polymers

Cited by 69 publications

References 42 publications

A Survey of Equations of State for Polymers

A Survey of Equations of State for Polymers

Methods for the Measurement of Solvent Activity of Polymer Solutions

The EoS/G^EMixing Rules for Cubic Equations of State

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Application of the van der Waals equation of state to polymers

Cited by 69 publications

References 42 publications

A Survey of Equations of State for Polymers

A Survey of Equations of State for Polymers

Methods for the Measurement of Solvent Activity of Polymer Solutions

The EoS/GEMixing Rules for Cubic Equations of State

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Product

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The EoS/G^EMixing Rules for Cubic Equations of State