Predicting phase behavior in aqueous systems without fitting binary parameters I: CP‐PC‐SAFT EOS, aromatic compounds
I Polishuk, Y Sidik, D NguyenHuynh - AIChE Journal, 2017 - Wiley Online Library
This study examines an accuracy of CP‐PC‐SAFT attached by the 4C cross‐association
scheme and zero values of binary parameters in predicting the high temperature‐high …
scheme and zero values of binary parameters in predicting the high temperature‐high …
Estimation of pure component parameters of PC-SAFT EoS by an artificial neural network based on a group contribution method
H Matsukawa, M Kitahara, K Otake - Fluid Phase Equilibria, 2021 - Elsevier
In this study, we introduced an artificial neural network (ANN), which can represent objects
that are difficult to formulate, rather than the integrated model of the group contribution …
that are difficult to formulate, rather than the integrated model of the group contribution …
Modeling of polar systems with the perturbed-chain SAFT equation of state. Investigation of the performance of two polar terms
A Dominik, WG Chapman, M Kleiner… - Industrial & …, 2005 - ACS Publications
The Perturbed-Chain SAFT (PC-SAFT) equation of state is applied to model phase equilibria
and the thermodynamic properties of ethers and esters. A systematic study of these two …
and the thermodynamic properties of ethers and esters. A systematic study of these two …
New modified PC-SAFT pure component parameters for accurate VLE and critical phenomena description
I Anoune, Z Mimoune, H Madani, A Merzougui - Fluid Phase Equilibria, 2021 - Elsevier
Abstract The theory of Perturbed Chain Statistical Associating Fluid (PC-SAFT) is largely
applied in many industrial fields. It requires three parameters: the segment number (m), the …
applied in many industrial fields. It requires three parameters: the segment number (m), the …
SAFT prediction of vapour-liquid equilibria of mixtures containing carbon dioxide and aqueous monoethanolamine or diethanolamine
JK Button, KE Gubbins - Fluid Phase Equilibria, 1999 - Elsevier
We extend the Statistical Associating Fluid Theory, SAFT, to vapour-liquid equilibria of fluid
mixtures in which all components hydrogen bond. We refit parameters for carbon dioxide …
mixtures in which all components hydrogen bond. We refit parameters for carbon dioxide …
A comprehensive description of chemical association effects on second derivative properties of alcohols through a SAFT-VR approach
T Lafitte, MM Piñeiro, JL Daridon… - The Journal of Physical …, 2007 - ACS Publications
A recently derived version of the statistical associating fluid theory (SAFT), denoted as SAFT-
VR Mie, which incorporates the Mie potentials within the SAFT-VR framework to model the …
VR Mie, which incorporates the Mie potentials within the SAFT-VR framework to model the …
Second-order thermodynamic derivative properties of selected mixtures by the soft-SAFT equation of state
We have discussed the capability of the soft-SAFT equation of state (EoS) to predict second
order thermodynamic derivative properties of pure fluids in a recent paper [F. Llovell, LF …
order thermodynamic derivative properties of pure fluids in a recent paper [F. Llovell, LF …
Reliable computation of phase stability and equilibrium from the SAFT equation of state
G Xu, JF Brennecke, MA Stadtherr - Industrial & engineering …, 2002 - ACS Publications
In recent years, molecularly based equations of state, as typified by the SAFT (statistical
associating fluid theory) approach, have become increasingly popular tools for the modeling …
associating fluid theory) approach, have become increasingly popular tools for the modeling …
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 …
New procedure for enhancing the transferability of statistical associating fluid theory (SAFT) molecular parameters: the role of derivative properties
MB Oliveira, F Llovell, JAP Coutinho… - Industrial & Engineering …, 2016 - ACS Publications
Here, we present a simple method for optimizing the fitting of molecular parameters
involving vapor–liquid equilibria (VLE) and selected second-order thermodynamic …
involving vapor–liquid equilibria (VLE) and selected second-order thermodynamic …