2001
DOI: 10.1021/ie0003887
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Abstract: A modified SAFT equation of state is developed by applying the perturbation theory of Barker and Henderson to a hard-chain reference fluid. With conventional one-fluid mixing rules, the equation of state is applicable to mixtures of small spherical molecules such as gases, nonspherical solvents, and chainlike polymers. The three pure-component parameters required for nonassociating molecules were identified for 78 substances by correlating vapor pressures and liquid volumes. The equation of state gives good fi… Show more

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Cited by 2,811 publications
(4,034 citation statements)
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References 39 publications
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“…In this theory, molecules are modeled as chains of bonded spherical segments and the properties of a fluid are obtained by expanding about the same properties of a reference fluid. Gross and Sadowski (2001) proposed the perturbed-chain modification (PC-SAFT) to account for the effects of chain length on the segment dispersion energy, by extending the perturbation theory of Barker and Henderson (1969) to a hard chain reference (Koyuncu et al 2002). This version of SAFT properly predicts the phase behavior of mixtures containing high molecular weight fluids such as the large wax molecules.…”
Section: Pc-saft Modelmentioning
confidence: 99%
“…In this theory, molecules are modeled as chains of bonded spherical segments and the properties of a fluid are obtained by expanding about the same properties of a reference fluid. Gross and Sadowski (2001) proposed the perturbed-chain modification (PC-SAFT) to account for the effects of chain length on the segment dispersion energy, by extending the perturbation theory of Barker and Henderson (1969) to a hard chain reference (Koyuncu et al 2002). This version of SAFT properly predicts the phase behavior of mixtures containing high molecular weight fluids such as the large wax molecules.…”
Section: Pc-saft Modelmentioning
confidence: 99%
“…Gross and Sadowski [28]- [29] developed a modification to the SAFT equation referred to as PC-SAFT (Perturbed-Chain SAFT). In the structure of the PC-SAFT equation, molecules are assumed to be chains of spherical segments, freely linked and exhibiting attraction forces among them.…”
Section: Pc-saft Equationmentioning
confidence: 99%
“…After the work of Gross and Sadowski [28]- [29], some applications of the PC-SAFT model may be found in literature. Table 2 presents a summary of some of the applications of the PC-SAFT model for systems consisting of homopolymers and copolymers.…”
Section: Polymeric Systems Modeling Using the Saft Equation And Its Mmentioning
confidence: 99%
See 1 more Smart Citation
“…Recently, Gross and Sadowski 15 have developed a variation of the SAFT model (PC-SAFT) in which the reference term is a hard chain fluid instead of a hard sphere fluid. This feature makes this equation very attractive to model polymer phase equilibria since the particular connection between the different segments is already taken into account in the reference term.…”
Section: Introductionmentioning
confidence: 99%