Review and new insights into the application of molecular-based equations of state to water and aqueous solutions
Water is a fascinating compound, essential to our life and present in most of the biological
and industrial systems. In spite of its importance, the particular features of water and the …
and industrial systems. In spite of its importance, the particular features of water and the …
Evaluation of the PC-SAFT, SAFT and CPA equations of state in predicting derivative properties of selected non-polar and hydrogen-bonding compounds
In order to provide a comprehensive understanding of the potential and limitations of the PC-
SAFT, SAFT and CPA equations-of-state, this study offers insight into their application for the …
SAFT, SAFT and CPA equations-of-state, this study offers insight into their application for the …
SAFT-VR Mie: Application to Phase Equilibria of Alcohols in Mixtures with n-Alkanes and Water
This work expands the scope of the SAFT-VR Mie framework by considering its application
and that of its polar variant (SAFT-VR Mie-GV) to real phase behavior in alcohol/n-alkane …
and that of its polar variant (SAFT-VR Mie-GV) to real phase behavior in alcohol/n-alkane …
Understanding the thermodynamics of hydrogen bonding in alcohol-containing mixtures: cross-association
The thermodynamics of hydrogen bonding in 1-alcohol+ water binary mixtures is studied
using molecular dynamic (MD) simulation and the polar and perturbed chain form of the …
using molecular dynamic (MD) simulation and the polar and perturbed chain form of the …
[HTML][HTML] New association schemes for tri-ethylene glycol: Cubic-Plus-Association parameterization and uncertainty analysis
Transportation of natural gas extracted from subterranean reservoirs is subject to several
risks introduced by the presence of water. These risks can be mitigated through subsea …
risks introduced by the presence of water. These risks can be mitigated through subsea …
Understanding the thermodynamics of hydrogen bonding in alcohol-containing mixtures: self association
The perturbed chain form of the polar statistical associating fluid theory (Polar PC-SAFT)
was used to model lower 1-alcohol+ n-alkane mixtures. The ability of the equation of state to …
was used to model lower 1-alcohol+ n-alkane mixtures. The ability of the equation of state to …
Water+ 1-alkanol systems: Modeling the phase, interface and viscosity properties
In this work, we present a thermodynamic characterization of the water+ 1-alkanol mixtures,
including the description of phase diagrams, interfacial tension and viscosities, by the soft …
including the description of phase diagrams, interfacial tension and viscosities, by the soft …
Accounting for cross association in non-self-associating species using a physically consistent SAFT-VR Mie approach
This work presents a formalised, physically consistent approach to account for cross
association in the SAFT framework. The focus of the approach was to account for solvation …
association in the SAFT framework. The focus of the approach was to account for solvation …
Simultaneous modeling of VLE, LLE and VLLE of CO2 and 1, 2, 3 and 4 alkanol containing mixtures using GC-PPC-SAFT EOS
A polar version of the group contribution PC-SAFT equation of state (GC-PPC-SAFT;
Tamouza et al., 2004; NguyenHuynh et al., 2008) combined with a method for …
Tamouza et al., 2004; NguyenHuynh et al., 2008) combined with a method for …
New association schemes for mono-ethylene glycol: Cubic-Plus-Association parameterization and uncertainty analysis
Accurate thermodynamic predictions for systems containing glycols are essential for the
design and commissioning of novel subsea natural gas dehydration units. Previously it has …
design and commissioning of novel subsea natural gas dehydration units. Previously it has …