Statistical associating fluid theory PC-SAFT

Perturbed Chain-Statistical Associating Fluid Theory (PC-SAFT)... 

The ability to model Selexol-based unit operations in Aspen Plus or Aspen HYSYS was recently made possible by the inclusion of the Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) physical property model. As in Aspen HYSYS (see Section 6.1.1), a single chemical DEPG be used as a proxy for the mixture. Simple example files for using PC-SAFT with Selexol for one- or two-unit operations are included with the Aspen Plus distributiOTi, and an example for using PC-SAFT in Aspen HYSYS is available for download to subscribers of the Aspen Technology support website. 

Gonzalez et alP modeled the asphaltenes precipitation in live oils with the (Perturbed Chain-Statistical Associating Fluid Theory (PC-SAFT) see Chapter 8 for additional material. It is not an easy task to apply a complicated model such as PC-SAFT to systems consisting of a very large number of chemical... 

Vargas, F.M., Gonzalez, D.L., Hirasaki, G.J., and Chapman, W.G., 2009. Modeling asphaltene phase behavior in crude oil systems using the perturbed chain form of the statistical associating fluid theory (PC-SAFT) equation of state. Energy Fuels, 23 1140. 

Simulation of polymerization and copolymerization kinetits requires additional information about the phase behavior of the monomer-polymer system. Cloud-point smdies oncopolymer-ethene as well as copolymer-ethene-comonomer systems have been carried out over wide p and T ranges under visual inspection of the reaction mbcmre. Part of the measured cloud-point curves have been modeled by permrbed chain -statistical associating fluid theory (PC-SAFT) theory. ... 

Experimental data including the acidic species in the vapor phase within the above concentration range are scarce. Only very few publications of VLE data in that range are available [168, 173]. In contrast, numerous vapor pressure curves are accessible in literature. Chemical equilibrium data for the polycondensation and dissociation reaction in that range (>100 wt%) are so far not published [148]. However, a starting point to describe the vapor-Uquid equilibrium at those high concentratirMis is given by an EOS which is based on the fundamentals of the perturbation theory of Barker [212, 213]. Built on this theory, Sadowski et al. [214] have developed the PC-SAFT (Perturbed Chain Statistical Associated Fluid Theory) equation of state. The PC-SAFT EOS and its derivatives offer the ability to be fuUy predictive in combination with quantum mechanically based estimated parameters [215] and can therefore be used for systems without or with very little experimental data. Nevertheless, a model validation should be undertaken. Cameretti et al. [216] adopted the PC-SAFT EOS for electrolyte systems (ePC-SAFT), but the quality for weak electrolytes as phosphoric... 

PC-SAFT Perturbed-chain statistical associating fluid theory rRESPA Reversible reference systems propagator algorithm SAET Statistical associating fluid theory... 

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