2007
DOI: 10.1002/aic.11110
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Predicting the phase equilibria of petroleum fluids with the SAFT‐VR approach

Abstract: The SAFT‐VR equation of state is combined with a semi‐continuous thermodynamic approach to model several synthetic and crude oil systems. In our approach, the oil fractions are defined by a continuous distribution that is then represented as discrete pseudo‐components using the Gaussian quadrature method. The SAFT‐VR parameters for the pseudo‐components are obtained from simple linear relationships that were defined in earlier work, which allows the approach to be easily applied to undefined oil systems. Good … Show more

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Cited by 35 publications
(14 citation statements)
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References 67 publications
(98 reference statements)
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“…Calculation and simulation for solving problems in chemical engineering are found to give reliable results (Cao et al, 2006;Sun et al, 2007;Tan et al, 2004), especially quantum chemical computations which are an increasingly important tool in chemical science and engineering. They are good approaches to theoretically select effective SLM carriers by providing the molecular structure-property relations, which is the key to bridge the relation of the carrier structures with their extractabilities.…”
Section: Computational Methodologymentioning
confidence: 99%
“…Calculation and simulation for solving problems in chemical engineering are found to give reliable results (Cao et al, 2006;Sun et al, 2007;Tan et al, 2004), especially quantum chemical computations which are an increasingly important tool in chemical science and engineering. They are good approaches to theoretically select effective SLM carriers by providing the molecular structure-property relations, which is the key to bridge the relation of the carrier structures with their extractabilities.…”
Section: Computational Methodologymentioning
confidence: 99%
“…Subsequently, many modifications of SAFT EOS were made and applied to predict and calculate thermodynamic properties of numerous and varied types of systems of industrial interest. For examples, Sun et al [13] applied the SAFT-VR type EOS [14] to model the phase behavior of gas condensates and light petroleum fractions of oil fluids; Gross and Sadowski [15] predicted and correlated the VLE and liquid-liquid equilibrium (LLE) by using PC-SAFT model [16]. A detailed review of SAFT EOS has been given by Muller and Gubbins [17].…”
Section: Introductionmentioning
confidence: 98%
“…McCabe et al extended the scope of the original SAFT-VR approach for n-alkanes from methane to C 36 H 74 to predict vapour-liquid equilibria and obtained a correlation of model parameters to enable extrapolation to longer chains of the homologous series [18]. Recently, Sun et al [19] applied the SAFT-VR EOS to model the phase behaviour of light petroleum fractions of oil fluids.…”
Section: Introductionmentioning
confidence: 97%