GC-PPC-SAFT equation of state for VLE and LLE of hydrocarbons and oxygenated compounds. Sensitivity analysis
Group-contribution polar versions of SAFT equations of state are very useful for predictive
calculations of mixtures containing diverse polar molecules. In this work, we have evaluated …
calculations of mixtures containing diverse polar molecules. In this work, we have evaluated …
On the thermodynamics of diblock chain fluids from simulation and heteronuclear statistical associating fluid theory for potentials of variable range
Y Peng, H Zhao, C McCabe - Molecular Physics, 2006 - Taylor & Francis
The SAFT-VR equation of state is extended to treat heteronuclear chain fluids, focusing, in
particular, on symmetric and asymmetric diblock chains. The chain molecules studied are …
particular, on symmetric and asymmetric diblock chains. The chain molecules studied are …
Use of PC-SAFT for Global Phase Diagrams in Binary Mixtures Relevant to Natural Gases. 1. n-Alkane + n-Alkane
S Aparicio-Martínez, KR Hall - Industrial & engineering chemistry …, 2007 - ACS Publications
Natural gases are complex, multicomponent mixtures for which most available theoretical
approaches do not predict thermodynamic behavior correctly. Development of reliable and …
approaches do not predict thermodynamic behavior correctly. Development of reliable and …
Predicting mixture phase equilibria and critical behavior using the SAFT-VRX approach
L Sun, H Zhao, SB Kiselev… - The Journal of Physical …, 2005 - ACS Publications
The SAFT-VRX equation of state combines the SAFT-VR equation with a crossover function
that smoothly transforms the classical equation into a nonanalytical form close to the critical …
that smoothly transforms the classical equation into a nonanalytical form close to the critical …
About the numerical pitfalls characteristic for SAFT EOS models
I Polishuk - Fluid Phase Equilibria, 2010 - Elsevier
This study demonstrates that SAFT EOS models might exhibit the practically unrealistic and
even non-physical predictions due to the two factors, namely the temperature dependencies …
even non-physical predictions due to the two factors, namely the temperature dependencies …
Developing a predictive group-contribution-based SAFT-VR equation of state
Y Peng, KD Goff, MC dos Ramos, C McCabe - Fluid Phase Equilibria, 2009 - Elsevier
The hetero-segmented version of the statistical associating fluid theory for potentials of
variable range (hetero-SAFT-VR) is used to develop a predictive molecular-based group …
variable range (hetero-SAFT-VR) is used to develop a predictive molecular-based group …
Simplified crossover SAFT equation of state for pure fluids and fluid mixtures
SB Kiselev, JF Ely - Fluid Phase Equilibria, 2000 - Elsevier
A simplified modification of the crossover statistical associating fluid theory (SAFT) EOS is
used to describe thermodynamic properties of pure fluids and binary mixtures over a wide …
used to describe thermodynamic properties of pure fluids and binary mixtures over a wide …
Prediction of vapor–liquid equilibrium in water–alcohol–hydrocarbon systems with the dipolar perturbed-chain SAFT equation of state
NM Al-Saifi, EZ Hamad, P Englezos - Fluid Phase Equilibria, 2008 - Elsevier
It is well known that water–alcohol–hydrocarbon systems are very difficult to model due to
the existence of hydrogen bonding interactions, permanent dipole–dipole interactions and …
the existence of hydrogen bonding interactions, permanent dipole–dipole interactions and …
Are safe results obtained when SAFT equations are applied to ordinary chemicals? Part 2: Study of solid–liquid equilibria in binary systems
In a previous work, some irregular behaviours of the PC-SAFT EoS–and more generally of
SAFT-type EoS–were pointed out for pure components at low temperatures. In particular, it …
SAFT-type EoS–were pointed out for pure components at low temperatures. In particular, it …
Extending the GC-SAFT-VR approach to associating functional groups: Alcohols, aldehydes, amines and carboxylic acids
MC Dos Ramos, JD Haley, JR Westwood… - Fluid phase equilibria, 2011 - Elsevier
The statistical associating fluid theory is a widely used molecular-based equation of state
that has been successfully applied to study a broad range of fluid systems. It provides a …
that has been successfully applied to study a broad range of fluid systems. It provides a …